SCHEMBL6583519

SCHEMBL6583519

Cc1ccc(CC(=O)N(C)C)c(S)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
ICMT O60725 1/20 0.36
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
GABRA2 P47869 1/20 0.36
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6583906 0.81 SRC (0.44) SRCICMTGABRA1GABRB2KDM4E
SCHEMBL4597631 0.80 SRC (0.59) SRCKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL27500492 0.79 TAAR1 (0.44) SRCICMTGABRA1GABRB2KDM4E
SCHEMBL24802456 0.77 AMY1A (0.49) ICMTGABRA1GABRB2KDM4ELMNA
SCHEMBL27515511 0.77 SRC (0.40) SRCLMNANPC1RAB9ASMN1; SMN2
SCHEMBL24802459 0.77 MEN1 (0.45) CYP3A4CYP1A2CYP2C19ALDH1A1ACHE
SCHEMBL6477480 0.76 HSP90AB1 (0.41) SRCKDM4ELMNAHPGDHSD17B10
SCHEMBL3823395 0.76 PCNA (0.43) SRCICMTGABRA1GABRB2KDM4E
SCHEMBL12988424 0.74 AIMP2 (0.40)
SCHEMBL24802434 0.73 MAPK8 (0.48) CYP3A4HSD17B10CYP1A2CYP2C19HTT

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
EP-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
EP-0784052-A1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1997-07-16 EP disclosed
US-4920131-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4918081-A Quinoline derivatives and use thereof as antagonists of leukotriene d4 RORER PHARMACEUTICAL CORP. (US) 1990-04-17 US disclosed
WO-1989012629-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP disclosed