SCHEMBL3244780

SCHEMBL3244780

CCCCCc1[c][nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
OXER1 Q8TDS5 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 2/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL4142895 0.95 KDM4E (0.42) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL6470274 0.87 CHRNB2 (0.41) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL7989623 0.80 SLC6A4 (0.53) ALDH1A1
SCHEMBL640081 0.80 KIF11 (0.39) CTSVCTSLHSD17B10KDM4EALDH1A1
SCHEMBL16432092 0.77 TAAR1 (0.46) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL3381548 0.72 ALDH1A1 (0.36) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL7404828 0.72 HTR2A (0.36) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL5327645 0.72 ALDH1A1 (0.36) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL928608 0.71 ALDH1A1 (0.47) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL4912242 0.71 GABRP (0.48) CTSVCTSLHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060287-A1 PROCESS FOR THE PREPARATION OF ENCENICLINE FROM 7-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID CHLORIDE AND (R)-QUINUCLIDIN-3-AMINE IN THE PRESENCE OF IMIDAZOLE SANDOZ AG (CH) 2017-04-13 WO disclosed
WO-2010032257-A1 ARYL INDOLYL SULFONAMIDE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO disclosed
WO-2010032257-A1 ARYL INDOLYL SULFONAMIDE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-03-25 WO disclosed
EP-0119954-B1 3-AMINO-1-BENZAZEPIN-2-ONE-1-ALCANOIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR PHARMACEUTICAL PREPARATION AS WELL AS THEIR THERAPEUTIC USE CIBA-GEIGY AG (CH) 1990-03-14 EP disclosed
EP-0119161-B1 BENZAZOCINONE AND BENZAZONINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed
EP-0119954-A2 3-Amino-1-benzazepin-2-one-1-alcanoic acids, process for their preparation, their pharmaceutical preparation as well as their therapeutic use CIBA-GEIGY AG (CH) 1984-09-26 EP disclosed
EP-0119161-A2 Benzazocinone and benzazoninone derivatives, process for their preparation, pharmaceutical preparations containing these compounds, and their therapeutical use CIBA-GEIGY AG (CH) 1984-09-19 EP disclosed