SCHEMBL13373333

SCHEMBL13373333

Cc1cccc(-c2ccc3[nH]cnc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
IDO1 P14902 3/20 0.46
METAP2 P50579 1/20 0.46
QPCT Q16769 1/20 0.45
QPCTL Q9NXS2 1/20 0.45
MAP4K4 O95819 1/20 0.44
MAP3K8 P41279 1/20 0.43
ICMT O60725 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ENPP3 O14638 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL13680531 0.87 QPCT (0.60) MAPK14IDO1METAP2QPCTQPCTL
SCHEMBL13373486 0.84 PARP1 (0.46) QPCTQPCTLMAP3K8BRD4CREBBP
SCHEMBL6008269 0.84 MAPT (0.50) QPCTQPCTLBRD4CREBBP
SCHEMBL31143361 0.84 MAPT (0.50) QPCTQPCTLBRD4CREBBP
SCHEMBL22418755 0.83 QPCT (0.47) QPCTQPCTL
SCHEMBL2457365 0.82 QPCT (0.50) QPCTQPCTL
SCHEMBL28178103 0.80 IDO1 (0.50) IDO1METAP2QPCTQPCTL
SCHEMBL29908926 0.80 PARP1 (0.56) QPCTBRD4CREBBP
SCHEMBL15413217 0.80 PARP1 (0.56) QPCTBRD4CREBBP
SCHEMBL10903 0.80 PARP1 (0.56) QPCTBRD4CREBBP

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed