SCHEMBL8638523

SCHEMBL8638523

CCCCOc1cccc(C=CC(=O)Nc2ccccc2C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
CYP3A4 P08684 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
KDM4E B2RXH2 4/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TNIK Q9UKE5 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 3/20 0.50

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
SCHEMBL8638520 1.00 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8638566 0.90 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8638570 0.90 SMN1; SMN2 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8637357 0.85 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8637365 0.85 SMN1; SMN2 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8637112 0.85 MEN1 (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8637121 0.85 MEN1 (0.69) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8637338 0.83 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8637332 0.83 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8635549 0.80 KMT2A (0.70) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
EP-0855387-A1 2-ACYLAMINOBENZAMIDE DERIVATIVES AND PREVENTIVE AND REMEDY FOR DISEASES CAUSED BY THE SUPERMULTIPLICATION OF VASCULAR INTIMAL CELLS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed