SCHEMBL13680596

SCHEMBL13680596

Cc1ccc(-c2ccc3nc[nH]c3c2)o1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
CREBBP Q92793 1/20 0.54
QPCT Q16769 11/20 0.51
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
TERT O14746 2/20 0.47
QPCTL Q9NXS2 4/20 0.47
MAPT P10636 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MMP12 P39900 1/20 0.45
PRKCI P41743 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL12332351 0.80 PARP1 (0.57)
SCHEMBL8634290 0.77 QPCT (0.68) BRD4CREBBPQPCTNPC1ALDH1A1
SCHEMBL3346625 0.77 TERT (0.49) QPCTNPC1ALDH1A1KDM4ETP53
SCHEMBL13680597 0.75 ALDH1A1 (0.55) NPC1ALDH1A1KDM4ETP53RAB9A
SCHEMBL13680971 0.74 TERT (0.44) BRD4CREBBPQPCTNPC1ALDH1A1
SCHEMBL2457603 0.73 QPCT (0.51) BRD4CREBBPQPCTNPC1ALDH1A1
SCHEMBL2460276 0.73 QPCT (0.51) BRD4CREBBPQPCTNPC1ALDH1A1
SCHEMBL29458961 0.72 QPCT (0.54) BRD4CREBBPQPCTNPC1ALDH1A1
SCHEMBL19134465 0.72 KDM4E (0.63) QPCTNPC1ALDH1A1KDM4ETP53
SCHEMBL18551785 0.71 BRD4 (0.50) BRD4ALDH1A1KDM4EHPGDCYP1A1

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