SCHEMBL9725329

SCHEMBL9725329

N#Cc1ccc(-c2ccc(C#N)cc2-c2nc3ccccc3[nH]2)c(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.53
METAP1 P53582 1/20 0.53
NPC1 O15118 9/20 0.53
RAB9A P51151 9/20 0.53
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
HSD17B10 Q99714 3/20 0.53
PKM P14618 2/20 0.53
TP53 P04637 2/20 0.53
ABCB11 O95342 1/20 0.53
HPGD P15428 4/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CHEK2 O96017 1/20 0.50
GLA P06280 1/20 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
SCHEMBL4952684 0.89 NPC1 (0.48) METAP2METAP1NPC1RAB9AALDH1A1
SCHEMBL12071689 0.87 SMN1; SMN2 (0.61) METAP2METAP1NPC1RAB9AALDH1A1
SCHEMBL5488987 0.86 METAP2 (0.47) METAP2METAP1NPC1RAB9AALDH1A1
SCHEMBL2312932 0.82 NPC1 (0.45) METAP2METAP1NPC1RAB9AALDH1A1
SCHEMBL10070465 0.81 KDM4E (0.50) METAP2METAP1NPC1RAB9AALDH1A1
SCHEMBL2317573 0.80 RAB9A (0.43) METAP2METAP1NPC1RAB9AALDH1A1
SCHEMBL20677815 0.80 NPC1 (0.75) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3503448 0.80 KDR (0.69) METAP2METAP1NPC1RAB9AALDH1A1
SCHEMBL3501986 0.80 KDR (0.69) METAP2METAP1NPC1RAB9AALDH1A1
SCHEMBL3337258 0.80 NPC1 (0.66) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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-5081256-A Para ordered aromatic diacids containing benzimidazole groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-01-14 US disclosed