SCHEMBL13680603

SCHEMBL13680603

Cc1ccc(-c2ccc(C(F)(F)F)cc2)n1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
KIF11 P52732 6/20 0.42
SIGMAR1 Q99720 1/20 0.39
TDP2 O95551 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DYRK3 O43781 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL29588174 0.79 KIF11 (0.48) PTGS2TP53GAAMAPTPOLB
SCHEMBL13680602 0.74 TRPV4 (0.42) PTGS2
SCHEMBL5207654 0.74 SRD5A2 (0.59) BACE1
SCHEMBL6287395 0.72 PTGS2 (0.67) PTGS2MAPTKIF11
SCHEMBL5204511 0.71 MAPT (0.53) PTGS2TP53MAPTPOLBBACE1
SCHEMBL14360705 0.71 MAPT (0.50) GAAMAPTPOLBBACE1
SCHEMBL8989237 0.70 KIF11 (0.47) TP53GAAMAPTPOLBKIF11
SCHEMBL6279228 0.70 PTGS2 (0.64) PTGS2TP53MAPTPOLBRAB9A
SCHEMBL5209142 0.69 KIF11 (0.47) PTGS2TP53GAAMAPTPOLB
SCHEMBL27560774 0.69 PGR (0.33) PTGS2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed