SCHEMBL5324677

SCHEMBL5324677

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(Cc3ccc(F)cc3)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 4/20 0.46
RGS8 P57771 4/20 0.46
RGS16 O15492 1/20 0.46
RGS19 P49795 1/20 0.46
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 4/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
GAA P10253 1/20 0.37
P2RX3 P56373 1/20 0.37
MEN1 O00255 2/20 0.36
NOX4 Q9NPH5 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
SCHEMBL5325289 0.89 HSP90AA1 (0.38) RGS4RGS8NPC1LMNATSHR
SCHEMBL5323331 0.88 RGS4 (0.48) RGS4LMNARAB9A
SCHEMBL14622453 0.87 CYP11B1 (0.43) RGS4RGS8NPC1LMNATSHR
SCHEMBL5326762 0.86 LMNA (0.49) NPC1LMNAMAPK1RAB9AKMT2A
SCHEMBL14624165 0.83 LMNA (0.37) RGS4RGS8NPC1LMNATSHR
SCHEMBL5325697 0.83 RAD51 (0.40) NPC1LMNATSHRMAPK1RAB9A
SCHEMBL5331474 0.82 PTGS2 (0.38) LMNAKMT2APTGS1PTGS2MEN1
SCHEMBL5328955 0.81 TP53 (0.49) KMT2A
SCHEMBL5281280 0.81 PTGS2 (0.39) PTGS1PTGS2
SCHEMBL14624160 0.79 HTT (0.35) NPC1LMNATSHRMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2007007161-A2 NOVEL BIO-ACTIVE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed