SCHEMBL5326762

SCHEMBL5326762

CSc1ccc(-n2c(-c3ccc(C)cc3)cc(=O)n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NR2F2 P24468 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.40
PSD A5PKW4 1/20 0.40
AR P10275 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
GALR3 O60755 1/20 0.39

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
SCHEMBL5324677 0.86 RGS4 (0.46) LMNANPC1RAB9AMAPK1KMT2A
SCHEMBL5323331 0.84 RGS4 (0.48) LMNASMN1; SMN2KDM4ERAB9AALDH1A1
SCHEMBL14622453 0.83 CYP11B1 (0.43) LMNAKDM4ENPC1RAB9AMAPK1
SCHEMBL5325289 0.83 HSP90AA1 (0.38) LMNANPC1RAB9AMAPK1MAPT
SCHEMBL14624165 0.80 LMNA (0.37) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5325697 0.80 RAD51 (0.40) LMNASMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL5323186 0.79 MAPT (0.51) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5331474 0.79 PTGS2 (0.38) LMNASMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL5328955 0.78 TP53 (0.49) KMT2AMAPT
SCHEMBL14624160 0.76 HTT (0.35) LMNASMN1; SMN2NPC1RAB9AMAPK1

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
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