SCHEMBL15033463

SCHEMBL15033463

Cc1ccc(-n2cnc(-c3c(-c4ccccc4F)nnn3C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MBNL1 Q9NR56 1/20 0.35
NLRP3 Q96P20 1/20 0.35
DHODH Q02127 3/20 0.35

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
SCHEMBL9897091 0.88 PSEN1 (0.37) NPC1RAB9ANLRP3DHODHGRM5
SCHEMBL9947564 0.87 MAPT (0.34) NPC1RAB9AMBNL1NLRP3DHODH
SCHEMBL9895968 0.86 ALDH1A1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9894892 0.85 IDO1 (0.43) NPC1RAB9ADHODHGRM5ALDH1A1
SCHEMBL9894887 0.77 PDE2A (0.35) PIM1MAPTHSD11B1ALDH1A1
SCHEMBL21402171 0.76 DHODH (0.37) NPC1RAB9AMBNL1DHODHALDH1A1
SCHEMBL9895060 0.75 KDM5A (0.36) RAB9ADHODH
SCHEMBL9895921 0.74 HTR5A (0.36) NPC1RAB9AGRM5
SCHEMBL9895296 0.72 GRM2 (0.35) NPC1RAB9AMBNL1DHODHGRM5
SCHEMBL9894802 0.70 MAPK14 (0.43)

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-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed