SCHEMBL5330439

SCHEMBL5330439

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(Cc3ccccn3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2B Q13224 3/20 0.44
ALDH1A1 P00352 2/20 0.40
NOX4 Q9NPH5 5/20 0.39
KDM4E B2RXH2 2/20 0.39
GNRHR P30968 1/20 0.39
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
AR P10275 1/20 0.37
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
CYBB P04839 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
SCHEMBL5327085 0.83 PDE10A (0.42) RAB9ASMN1; SMN2ALDH1A1CYP2C9HTT
SCHEMBL5325697 0.81 RAD51 (0.40) LMNANPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL5331474 0.80 PTGS2 (0.38) LMNASMN1; SMN2KDM4ECYP2C9HTT
SCHEMBL5326415 0.79 NPBWR1 (0.39) TP53SMN1; SMN2ALDH1A1CYP2C9HTT
SCHEMBL5324677 0.78 RGS4 (0.46) LMNANPC1RAB9ANOX4MAPK1
SCHEMBL5323606 0.77 LMNA (0.34) LMNANPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL5323331 0.77 RGS4 (0.48) LMNATP53RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5297375 0.77 MEN1 (0.42) LMNASMN1; SMN2ALDH1A1KDM4ECYP2C9
SCHEMBL14624160 0.77 HTT (0.35) LMNANPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL5326545 0.77 PTGS2 (0.39) LMNASMN1; SMN2ALDH1A1KDM4ECYP2C9

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