SCHEMBL8500339

SCHEMBL8500339

[S].c1ccc2c(Nc3cccc4ccccc34)cccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ TSHR P16473 3/20 0.71
▸ CDC25B P30305 2/20 0.71
▸ CYP3A4 P08684 2/20 0.71
▸ TP53 P04637 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ ALOX15 P16050 1/20 0.71
▸ ATM Q13315 1/20 0.71
▸ FADS1 O60427 1/20 0.57
▸ RAB9A P51151 2/20 0.55
▸ KDM4E B2RXH2 4/20 0.54
▸ GAA P10253 3/20 0.54
▸ EPHX2 P34913 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ RECQL P46063 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL49213 0.97 HSD17B10 (0.74) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL1921580 0.95 HSD17B10 (0.71) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
Ammonia Solution, Strong SCHEMBL11586421 0.95 HSD17B10 (0.71) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL22189184 0.86 HSD17B10 (0.61) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
Diphenylamine SCHEMBL8023920 0.86 HSD17B10 (0.88) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL21645599 0.86 HPRT1 (0.61) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL29619354 0.85 HSD17B10 (0.87) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL29444854 0.85 HSD17B10 (0.65) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL12302114 0.85 HSD17B10 (0.65) HSD17B10ALDH1A1TSHRCDC25BCYP3A4
SCHEMBL651572 0.85 HSD17B10 (0.87) HSD17B10ALDH1A1TSHRCDC25BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5900029-A COLORING FIBER OR TEXTILE CABOT CORPORATION (US) 1999-05-04 — — US disclosed
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