SCHEMBL10452829

SCHEMBL10452829

COc1ccc2oc3ccc(-c4nnn[nH]4)cc3c(=O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ HPGD P15428 6/20 0.61
▸ MAPT P10636 5/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ CASP3 P42574 1/20 0.61
▸ SENP8 Q96LD8 1/20 0.61
▸ SENP7 Q9BQF6 1/20 0.61
▸ SENP6 Q9GZR1 1/20 0.61
▸ MAOA P21397 2/20 0.54
▸ ABCB1 P08183 2/20 0.48
▸ HSD17B10 Q99714 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 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 0.94 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL10452923 0.93 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL10452925 0.93 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL11614996 0.83 CASP3 (0.40) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL10453899 0.82 CASP3 (0.51) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL10454122 0.82 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL10453889 0.82 MAPT (0.44) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL10453670 0.81 MAPT (0.43) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL10454133 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL10454132 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMAPTNPC1

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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