SCHEMBL10452923

SCHEMBL10452923

COc1ccc2oc3cc(-c4nnn[nH]4)ccc3c(=O)c2c1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 5/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ HPGD P15428 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ MAOA P21397 2/20 0.53
▸ RAD52 P43351 1/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL10452882 0.99 KDM4E (0.57) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10452925 0.98 KDM4E (0.56) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10452829 0.93 KDM4E (0.61) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10453668 0.88 MAPT (0.43) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10454132 0.88 ALDH1A1 (0.53) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10454122 0.87 ALDH1A1 (0.54) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10453889 0.87 MAPT (0.44) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL11614996 0.87 CASP3 (0.40) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10453751 0.86 XDH (0.42) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL10454133 0.86 ALDH1A1 (0.53) KDM4EALDH1A1MAPTNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4902701-A Tetrazolyl substituted tricyclic compounds and pharmacological compositions thereof BURROUGHS WELCOME CO. (US) 1990-02-20 — — US disclosed
EP-0093381-B1 TRICYCLIC COMPOUNDS, PREPARATION, USE AND INTERMEDIATES THE WELLCOME FOUNDATION LIMITED (GB) 1986-07-23 — — EP disclosed
EP-0093381-A1 Tricyclic compounds, preparation, use and intermediates THE WELLCOME FOUNDATION LIMITED (GB) 1983-11-09 — — EP disclosed
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