SCHEMBL5327487

SCHEMBL5327487

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGS2 P35354 5/20 0.34
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL5323252 0.90 PTGS2 (0.35) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL5321578 0.89 PTGS2 (0.37) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL14622407 0.83 PTGS2 (0.38) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL5325599 0.83 KDM4E (0.38) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL5321659 0.82 ALOX15 (0.43) MAPTSMN1; SMN2HTTLMNAGAA
SCHEMBL5331474 0.82 PTGS2 (0.38) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL5285665 0.81 HSD17B10 (0.35) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL5329856 0.81 DNM1 (0.45) DNM1SMN1; SMN2LMNAGAATHRB
SCHEMBL5325697 0.81 RAD51 (0.40) SMN1; SMN2PTGS2HTTLMNATHRB
SCHEMBL5324453 0.81 CSF1R (0.40) MAPTPTGS2HTTLMNATHRB

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