SCHEMBL8143184

SCHEMBL8143184

CSc1ncc(C=O)n1Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
VDR P11473 1/20 0.40
KMT2A Q03164 5/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
DRD2 P14416 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
P2RX3 P56373 1/20 0.36
MAPK1 P28482 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
SCHEMBL1958352 0.87 POLB (0.59) POLBALDH1A1KDM4EHTTLMNA
SCHEMBL15015960 0.77 P2RX3 (0.47) POLBATMAPOBEC3GALDH1A1GAA
SCHEMBL15015654 0.76 P2RX3 (0.48) POLBATMAPOBEC3GALDH1A1GAA
SCHEMBL15015882 0.74 ATM (0.47) POLBATMAPOBEC3GALDH1A1GAA
SCHEMBL15180670 0.72 ALDH1A1 (0.51) POLBATMAPOBEC3GALDH1A1GAA
SCHEMBL1778393 0.71 TRIM24 (0.36) POLBATMALDH1A1GAAKMT2A
SCHEMBL2361081 0.70 CYP3A4 (0.46) ALDH1A1GAAKMT2AMAPTKDM4E
SCHEMBL31590884 0.69 VDR (0.49) POLBAPOBEC3GALDH1A1GAAVDR
SCHEMBL15180830 0.69 P2RX3 (0.55) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL15015575 0.69 P2RX3 (0.52) ALDH1A1KMT2AMAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054882-A1 CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2000-11-29 EP disclosed
WO-1999041248-A1 CONDENSED HETEROCYCLIC SYSTEM DERIVATIVES, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 1999-08-19 WO disclosed