SCHEMBL8892660

SCHEMBL8892660

CSCC1=CC(=N)C=CC1NC(=O)NCc1ccc(N2CC(C(=O)OCc3ccccc3)OC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FKBP1A P62942 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ELANE P08246 6/20 0.33
F10 P00742 4/20 0.33
METAP2 P50579 1/20 0.32
POLB P06746 1/20 0.32
ITGB3 P05106 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
ITGA2B P08514 2/20 0.31
PRSS3 P35030 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 0.74 NPC1 (0.40) HPGDSMN1; SMN2MEN1KMT2AFKBP1A
SCHEMBL8892667 0.73 HPGD (0.37) HPGDSMN1; SMN2MEN1KMT2AFKBP1A
SCHEMBL8893076 0.72 ITGB3 (0.45) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL8891945 0.71 PRSS1 (0.49) F10POLBITGB3PRSS1PRSS2
SCHEMBL8892614 0.66 HPGD (0.43) HPGDSMN1; SMN2MEN1KMT2AFKBP1A
SCHEMBL7462288 0.63 LMNA (0.40) MEN1KMT2AMETAP2
SCHEMBL8315856 0.63 GRM2 (0.48) F10
SCHEMBL8892340 0.62 MEN1 (0.42) MEN1KMT2AITGB3ITGA2B
SCHEMBL8893748 0.62 HPGD (0.44) HPGDSMN1; SMN2CYP2C19F10ITGB3
SCHEMBL7458570 0.62 NAMPT (0.43) SMN1; SMN2MEN1KMT2ACYP2C19F10

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