SCHEMBL2114014

SCHEMBL2114014

Cn1ccc2cc(F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.59
MAOB P27338 2/20 0.55
CYP2A6 P11509 2/20 0.53
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
FAAH O00519 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APP P05067 1/20 0.44
PIK3CB P42338 1/20 0.44
HSD11B1 P28845 1/20 0.44
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
HTR3E A5X5Y0 1/20 0.41

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
SCHEMBL18867951 1.00 PRKCI (0.59) PRKCIMAOBCYP2A6HTR2AHTR2C
SCHEMBL30221529 0.83 CYP2A6 (0.53) PRKCIMAOBCYP2A6HTR2AHTR2C
SCHEMBL2436552 0.83 CYP2A6 (0.53) PRKCIMAOBCYP2A6HTR2AHTR2C
Ethoxycarbonyl Group SCHEMBL27489309 0.81 CYP2A6 (0.49) PRKCIMAOBCYP2A6HTR2AHTR2C
SCHEMBL15152207 0.80 MAOB (0.63) PRKCIMAOBCYP2A6HTR2CFAAH
SCHEMBL10094694 0.80 MAOB (0.53) PRKCIMAOBCYP2A6FAAHAPP
Hydrochloric Acid SCHEMBL27449431 0.79 CYP2A6 (0.47) PRKCIMAOBCYP2A6HTR2AHTR2C
SCHEMBL10094424 0.77 MAOB (0.50) PRKCIMAOBCYP2A6HTR2AHTR2C
SCHEMBL1606270 0.76 CYP2A6 (0.47) PRKCIMAOBCYP2A6HTR2AHTR2C
SCHEMBL18683804 0.76 PRKCI (0.60) PRKCIMAOBCYP2A6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409615-A 2- (Indol-3-yl) phenol compound and synthesis method thereof 湘潭大学 2025-02-11 CN claimed
CN-117903161-A Tetrathiodiindole compound and derivative, synthetic method and application thereof 衡阳师范学院 2024-04-19 CN claimed
CN-116969967-A Synthesis method of polysubstituted-5, 10-dihydro [1,2,3,4] tetrathio [5,6-b:7,8-b' ] diindole and derivative 衡阳师范学院 2023-10-31 CN claimed
CN-116813639-A Synthesis method of polysubstituted [1,2,3,4,5] pentathio [6,7-b ] indole and derivative 衡阳师范学院 2023-09-29 CN claimed
CN-109438318-B Synthesis method of 3-aryl indole and derivatives thereof 湖南医药学院 2022-05-03 CN claimed
CN-113564623-A Method for preparing isatin compound by electrochemically oxidizing N-substituted indole derivative 福建师范大学 2021-10-29 CN claimed
WO-2020224656-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-11-12 WO claimed
CN-107619386-B Aromatic ring [ c ] carbazole derivative and synthesis method thereof 湘潭大学 2020-10-13 CN claimed
CN-107235990-B Polysubstituted indoles bithiophene and derivative and its synthetic method 湘潭大学 2019-01-29 CN claimed
CN-108218897-A Polysubstituted selenophen diindyl and derivative and its synthetic method 湘潭大学 2018-06-29 CN claimed
CN-107619386-A A kind of aromatic ring simultaneously [c] carbazole analog derivative and its synthetic method 湘潭大学 2018-01-23 CN claimed
CN-107235990-A Polysubstituted indoles bithiophene and derivative and its synthetic method 湘潭大学 2017-10-10 CN claimed
CN-106995400-A A kind of compound and its salt and its synthetic method 湘潭大学 2017-08-01 CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
CN-103347864-B Pyrimidone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA 2 葛兰素集团有限公司 2016-08-10 CN claimed
CN-104788359-A Synthesis method of copper-promoted 3-cyano-substituted-indole compound UNIV HUNAN 2015-07-22 CN claimed
CN-103467471-A Organic compounds INTRA CELLULAR THERAPIES INC 2013-12-25 CN claimed
EP-4105216-B1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2026-05-20 EP disclosed
US-4814344-A ANTIEMENTICS, ANTIPSYCHOTICS GLAXO GROUP LIMITED 1989-03-21 US disclosed
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed