SCHEMBL13680655

SCHEMBL13680655

Cc1cccc(-c2cnc(=O)[nH]c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 1/20 0.57
IDO1 P14902 1/20 0.50
METAP2 P50579 1/20 0.50
XDH P47989 1/20 0.48
KMO O15229 2/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL10898482 0.80 IDO1 (0.50) IDO1KMONOTUMPARP10PARP11
SCHEMBL12863970 0.79 LYN (0.44) LYNMETAP2NPC1ALDH1A1RAB9A
SCHEMBL2352218 0.78 AKT1 (0.52) LYNCDK2CDK9NPC1ALDH1A1
SCHEMBL4402515 0.77 HSD17B1 (0.61) IDO1METAP2XDHKMOBCHE
SCHEMBL21904995 0.76 BTK (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL13680683 0.75 CYP2A6 (0.50) LYNMETAP2
SCHEMBL4582273 0.75 AKT1 (0.59) IDO1METAP2RAB9A
SCHEMBL3422110 0.74 IDO1 (0.58) IDO1METAP2XDHKMOBCHE
Hydrochloric Acid SCHEMBL23649477 0.74 AKT1 (0.57) IDO1METAP2RAB9A
SCHEMBL11158919 0.74 SOS1 (0.48) IDO1METAP2XDHACHENPC1

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