SCHEMBL8551275

SCHEMBL8551275

Clc1ccc2c(c1)nc(/C=C/c1ccccc1)n2-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53
TUBB8 Q3ZCM7 2/20 0.53
TUBA3E Q6PEY2 2/20 0.53
TUBA1A Q71U36 2/20 0.53
TUBA1C Q9BQE3 2/20 0.53
TUBB6 Q9BUF5 2/20 0.53
TUBB2B Q9BVA1 2/20 0.53
TUBB1 Q9H4B7 2/20 0.53
KCNH2 Q12809 1/20 0.50
TP53 P04637 3/20 0.47
KMT2A Q03164 4/20 0.44
NPC1 O15118 4/20 0.44

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
SCHEMBL8551282 1.00 PDE10A (0.54) PDE10ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8552722 0.89 TUBB4A (0.56) PDE10ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8552728 0.89 TUBB4A (0.56) PDE10ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6582609 0.83 MAPT (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6585289 0.83 ALDH1A1 (0.59) TP53KMT2ANPC1RAB9AKDM4E
SCHEMBL6582603 0.83 MAPT (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6585280 0.83 ALDH1A1 (0.59) TP53KMT2ANPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL6581370 0.82 ALDH1A1 (0.58) PDE10ATP53KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL6581363 0.82 ALDH1A1 (0.58) PDE10ATP53KMT2ANPC1RAB9A
SCHEMBL6583378 0.82 KDM4E (0.64) TP53KMT2ANPC1RAB9AKDM4E

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-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed