SCHEMBL10453899

SCHEMBL10453899

O=c1c2ccccc2oc2ccc(-c3nnn[nH]3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ MAOA P21397 5/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ PGAM1 P18669 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ TTR P02766 2/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL10453856 0.92 HCRTR1 (0.51) CASP3SENP7SENP6MAOACYP3A4
SCHEMBL11614996 0.90 CASP3 (0.40) CASP3SENP7SENP6MAOACYP3A4
SCHEMBL11632376 0.84 ALDH1A1 (0.53) CASP3SENP7SENP6MAOACYP3A4
SCHEMBL11629271 0.83 MKNK2 (0.36) CASP3SENP7SENP6MAOACYP3A4
SCHEMBL10454186 0.82 RAB9A (0.54) CASP3SENP7SENP6MAOAHSD17B10
SCHEMBL10452829 0.82 KDM4E (0.61) CASP3SENP7SENP6MAOACYP3A4
SCHEMBL10454114 0.82 MAOA (0.51) CASP3SENP7SENP6MAOACYP3A4
SCHEMBL11633567 0.80 TBK1 (0.44) CASP3SENP7SENP6KDM4EALDH1A1
SCHEMBL11367792 0.80 KDM4E (0.41) CASP3SENP7SENP6MAOACYP3A4
SCHEMBL10454174 0.79 HCRTR1 (0.37) CASP3SENP7SENP6MAOAHSD17B10

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-4902701-A Tetrazolyl substituted tricyclic compounds and pharmacological compositions thereof BURROUGHS WELCOME CO. (US) 1990-02-20 — — US disclosed
EP-0093381-A1 Tricyclic compounds, preparation, use and intermediates THE WELLCOME FOUNDATION LIMITED (GB) 1983-11-09 — — EP disclosed
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