SCHEMBL13680531

SCHEMBL13680531

Cc1cccc(-c2ccc3nc[nH]c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.60
QPCTL Q9NXS2 5/20 0.60
MAP3K8 P41279 1/20 0.54
BRD4 O60885 1/20 0.52
CREBBP Q92793 1/20 0.52
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAP4K4 O95819 1/20 0.48
MMP12 P39900 1/20 0.47
PRKCI P41743 1/20 0.47
MAPK14 Q16539 1/20 0.47
IDO1 P14902 1/20 0.46
METAP2 P50579 1/20 0.46
MAPT P10636 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL13373333 0.87 MAPK14 (0.47) QPCTQPCTLMAP3K8BRD4CREBBP
SCHEMBL15638693 0.84 QPCT (0.51) QPCTQPCTLMAP3K8BRD4CREBBP
SCHEMBL8634290 0.84 QPCT (0.68) QPCTQPCTLBRD4CREBBPKDM4E
SCHEMBL22418756 0.83 QPCT (0.64) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL2462345 0.82 QPCT (0.68) QPCTQPCTLBRD4CREBBPKDM4E
SCHEMBL23227938 0.80 QPCT (0.60) QPCTQPCTLBRD4CREBBPKDM4E
SCHEMBL29804755 0.80 QPCT (0.60) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL29804939 0.80 QPCT (0.60) QPCTQPCTLBRD4CREBBPKDM4E
SCHEMBL23227763 0.80 QPCT (0.60) QPCTQPCTLKDM4ENPC1ALDH1A1
SCHEMBL28178104 0.80 QPCT (0.60) QPCTQPCTLBRD4CREBBPKDM4E

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