SCHEMBL13680971

SCHEMBL13680971

O=CCCc1ccc(-c2ccc3nc[nH]c3c2)o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.44
QPCT Q16769 13/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
QPCTL Q9NXS2 4/20 0.41
CYP3A4 P08684 1/20 0.40
NAMPT P43490 1/20 0.40
XDH P47989 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL13680972 0.78 ALDH1A1 (0.45) TERTKDM4ENPC1ALDH1A1TP53
SCHEMBL13680975 0.75 PDE3B (0.48) KDM4EALDH1A1TP53SMN1; SMN2HPGD
SCHEMBL13680976 0.75 MAPT (0.50) TERTKDM4EALDH1A1TP53HPGD
SCHEMBL13680996 0.74 QPCT (0.44) QPCTQPCTL
SCHEMBL13680904 0.74 NPC1 (0.45) NPC1BRD4MAPT
SCHEMBL13680596 0.74 BRD4 (0.54) TERTQPCTKDM4ENPC1ALDH1A1
SCHEMBL3346625 0.72 TERT (0.49) TERTQPCTKDM4ENPC1ALDH1A1
SCHEMBL13681029 0.71 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2HPGDCYP1B1
SCHEMBL13681021 0.71 HTR6 (0.33) KDM4EALDH1A1SMN1; SMN2HPGDCYP3A4
SCHEMBL13680889 0.70 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2HPGDCYP3A4

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