SCHEMBL8892667

SCHEMBL8892667

CSC1=C(C)C(NC(=O)NCc2ccc(N3CC(C(=O)OCc4ccccc4)OC3=O)cc2)=CCC1=N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
FKBP1A P62942 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
F10 P00742 6/20 0.33
ITGB3 P05106 5/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
ITGA2B P08514 3/20 0.33
PRSS3 P35030 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ELANE P08246 2/20 0.32
ITGAV P06756 2/20 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
SCHEMBL8892670 0.76 NPC1 (0.40) HPGDSMN1; SMN2FKBP1AMEN1KMT2A
SCHEMBL8891809 0.76 F10 (0.39) MEN1KMT2AF10ITGB3PRSS1
SCHEMBL8893076 0.76 ITGB3 (0.45) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8892660 0.73 HPGD (0.35) HPGDSMN1; SMN2FKBP1AMEN1KMT2A
SCHEMBL7453990 0.72 F10 (0.38) SMN1; SMN2MEN1KMT2APOLBF10
SCHEMBL8891945 0.72 PRSS1 (0.49) POLBF10ITGB3PRSS1PRSS2
SCHEMBL7458984 0.69 SMN1; SMN2 (0.32) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8892614 0.66 HPGD (0.43) HPGDSMN1; SMN2FKBP1AMEN1KMT2A
SCHEMBL7463121 0.65 ITGB3 (0.43) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8315856 0.64 GRM2 (0.48) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed