SCHEMBL20522393

SCHEMBL20522393

CC(C)Oc1ccc(-c2ccccc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 1/20 0.47
MAP4K4 O95819 1/20 0.46
BTK Q06187 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
PTPN5 P54829 1/20 0.41
PRMT3 O60678 2/20 0.40
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
PRMT1 Q99873 2/20 0.40
PRMT8 Q9NR22 2/20 0.40
ALDH1A3 P47895 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL21708289 0.79 ALDH1A1 (0.49) ALDH1A1HSD17B10KMT2AMAP4K4PARP10
SCHEMBL395088 0.79 ABL1 (0.60) ALDH1A1HSD17B10KMT2AL3MBTL1ADORA3
SCHEMBL1270983 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10KMT2AL3MBTL1ADORA3
SCHEMBL28698396 0.78 KMT2A (0.47) KMT2AMAP4K4BTKPPARGPPARA
SCHEMBL6480845 0.77 ALDH1A1 (0.83) ALDH1A1HSD17B10L3MBTL1ADORA3GAA
SCHEMBL16847542 0.76 ALDH1A1 (0.60) ALDH1A1HSD17B10L3MBTL1ADORA3GAA
SCHEMBL624800 0.76 MAP4K4 (0.55) KMT2AMAP4K4BTKPARP10PRMT3
SCHEMBL4178299 0.76 GAA (0.62) ALDH1A1KMT2APPARGPPARAPTPN5
SCHEMBL13271315 0.75 PPARG (0.68) KMT2APPARGPPARABRD4CREBBP
SCHEMBL31264295 0.75 ALDH1A1 (0.79) ALDH1A1HSD17B10KMT2AL3MBTL1ADORA3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110719910-A Novel inhibitors 前体生物药物股份公司 2020-01-21 CN claimed
CN-117024352-A Novel inhibitors 维沃里翁治疗股份有限公司 2023-11-10 CN disclosed
CN-110719910-B Novel inhibitors 维沃里翁治疗股份有限公司 2023-07-21 CN disclosed
EP-3601269-A1 NOVEL INHIBITORS Probiodrug AG (DE) 2020-02-05 EP disclosed
CN-110719910-A Novel inhibitors 前体生物药物股份公司 2020-01-21 CN disclosed
WO-2018178384-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2018-10-04 WO disclosed
CN-103980618-A Mono-and multi-layer blown films BASF SE 2014-08-13 CN disclosed
CN-101018843-B Alkylaminoacetamide lubricant additives CIBA SC HOLDING AG 2011-05-11 CN disclosed
CN-101815698-A Degradation promoters for polymers and polymeric articles containing the same CIBA HOLDING INC 2010-08-25 CN disclosed
CN-101018821-B Polyolefin articles CIBA SC HOLDING AG 2010-06-16 CN disclosed
CN-100516155-C Coating compositions comprising leveling agents prepared by nitroxyl-mediated polymerization CIBA SC HOLDING AG (CH) 2009-07-22 CN disclosed
CN-101258194-A A degradable polymer article CIBA HOLDING INC (CH) 2008-09-03 CN disclosed
CN-101018843-A Alkylaminoacetamide lubricant additives CIBA SC HOLDING AG (CH) 2007-08-15 CN disclosed
CN-101018821-A Polyolefin articles CIBA SC HOLDING AG (CH) 2007-08-15 CN disclosed
CN-1890335-A Coating compositions comprising leveling agents prepared by nitroxyl-mediated polymerization CIBA SC HOLDING AG (CH) 2007-01-03 CN disclosed