SCHEMBL11588172

SCHEMBL11588172

c1ccc2c(Nc3ccc(/N=N/c4ccc(Nc5cccc6ccccc56)cc4)cc3)cccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ TP53 P04637 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ HPGD P15428 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ CDC25B P30305 1/20 0.69
▸ ATM Q13315 1/20 0.69
▸ RAB9A P51151 2/20 0.60
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ FADS1 O60427 1/20 0.53
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL11588174 1.00 HSD17B10 (0.69) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL1348098 0.96 ALDH1A1 (0.70) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL10802871 0.90 ALDH1A1 (0.61) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL651572 0.88 HSD17B10 (0.87) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL29619354 0.88 HSD17B10 (0.87) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL8966290 0.86 ALDH1A1 (0.65) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL27568879 0.86 HSD17B10 (0.65) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL4797443 0.82 ALDH1A1 (0.92) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL29609502 0.82 ALDH1A1 (0.92) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL29521400 0.82 HSD17B10 (0.77) HSD17B10ALDH1A1TP53CYP3A4HPGD

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-4128496-A Dichroic liquid crystal compositions GENERAL ELECTRIC COMPANY (US) 1978-12-05 — — US claimed
US-4128496-A Dichroic liquid crystal compositions GENERAL ELECTRIC COMPANY (US) 1978-12-05 — — US disclosed
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