SCHEMBL284115

SCHEMBL284115

Cc1cc(C)c(-c2ncc[nH]2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.52
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
SMPD3 Q9NY59 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 4/20 0.36
ADRA2C P18825 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28055177 0.98 NISCH (0.50) NISCHBRD4ALDH1A1SMN1; SMN2MTOR
Bromide SCHEMBL28735524 0.98 NISCH (0.50) NISCHBRD4ALDH1A1SMN1; SMN2MTOR
SCHEMBL29265355 0.94 NISCH (0.47) NISCHBRD4ALDH1A1SMN1; SMN2MTOR
SCHEMBL28021715 0.94 NISCH (0.47) NISCHBRD4ALDH1A1SMN1; SMN2MTOR
O-Xylene SCHEMBL29066360 0.91 NISCH (0.49) NISCHBRD4ALDH1A1SMN1; SMN2MTOR
SCHEMBL22431423 0.87 NISCH (0.44) NISCHBRD4ALDH1A1SMN1; SMN2MTOR
SCHEMBL29141525 0.80 NISCH (0.36) NISCHBRD4SMN1; SMN2KMT2A
SCHEMBL6001368 0.79 NISCH (0.52) NISCHBRD4ALDH1A1SMN1; SMN2MTOR
Hydrochloric Acid SCHEMBL29265356 0.78 NISCH (0.50) NISCHBRD4ALDH1A1SMN1; SMN2MTOR
SCHEMBL28239386 0.77 NISCH (0.64) NISCHBRD4ALDH1A1SMN1; SMN2MTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 199 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116037203-B Ruthenium catalyst of acetylene hydrochlorination loaded ionic liquid, preparation method and application 贵州重力科技环保股份有限公司 2024-10-29 CN claimed
CN-115010677-B Preparation method of 4-phenyl-2 (3H) -oxazolone 扬州市普林斯医药科技有限公司 2024-05-03 CN claimed
CN-117881670-A Methods of making EGFR inhibitors 缆图药品公司 2024-04-12 CN claimed
CN-117659065-A Method for preparing beta-boron-substituted aldehyde derivative 中国科学院大连化学物理研究所 2024-03-08 CN claimed
CN-116903652-A Preparation method of alkyl carborane 深圳技术大学 2023-10-20 CN claimed
CN-114773392-B Binuclear ruthenium catalyst and preparation method and application thereof 合肥工业大学 2023-09-26 CN claimed
CN-116769094-A Binuclear vanadium catalyst containing binghAC ligand, and preparation method and application thereof 合肥工业大学 2023-09-19 CN claimed
CN-116037203-A Ruthenium catalyst of acetylene hydrochlorination loaded ionic liquid, preparation method and application 贵州重力科技环保股份有限公司 2023-05-02 CN claimed
CN-114478351-B Method for synthesizing alpha-alkyl substituted indole-3-formaldehyde compound 苏州大学 2023-04-28 CN claimed
CN-114773392-A Binuclear ruthenium catalyst and preparation method and application thereof 合肥工业大学 2022-07-22 CN claimed
CN-105793306-B For the functionalized resins of high-performance tire 埃克森美孚化学专利公司 2018-06-05 CN claimed
CN-107903276-A A kind of method of asymmetric synthesis of cephalotaxine skeleton E rings 河北科技大学 2018-04-13 CN claimed
CN-107286075-A A kind of synthetic method of Yi Gelieting intermediates 苏州信恩医药科技有限公司 2017-10-24 CN claimed
CN-107108399-A 1,3 butadiene is synthesized 阿朗新科德国有限责任公司 2017-08-29 CN claimed
CN-105209474-B The load type metal catalyst prepared with disiloxane as the metal complex and load type metal complex compound of part, their preparation method and by using load type metal complex compound 国立研究开发法人产业技术综合研究所 2017-07-14 CN claimed
US-9457347-B2 Olefin metathesis catalysts BERGEN TEKNOLOGIOVERFORING AS (NO) 2016-10-04 US claimed
CN-104549504-A NHC-metal-imidazole structured catalyst and preparation method thereof CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
CN-101778883-B Method for producing polythiophenes and oligothiophenes on an industrial scale BAYER TECHNOLOGY SERVICES GMBH 2013-05-29 CN claimed
US-7645443-B2 Polyether-based composition curable by metathesis reaction KERR CORPORATION (US) 2010-01-12 US claimed
WO-2006053073-A1 MANUFACTURE OF MACROCYCLIC POLYESTER OLIGOMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-05-18 WO claimed