SCHEMBL19656420

SCHEMBL19656420

c1ccc(Nc2cc3sc4ccc5ccccc5c4c3c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ CDC25B P30305 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ FADS1 O60427 1/20 0.38
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL23633742 0.84 ALDH1A1 (0.57) ALDH1A1HPGDCDC25BCYP3A4HSD17B10
SCHEMBL21398894 0.82 ALDH1A1 (0.36) ALDH1A1HPGDCDC25BCYP3A4HSD17B10
SCHEMBL19239183 0.81 MEN1 (0.48) ALDH1A1HPGDCDC25BCYP3A4HSD17B10
SCHEMBL17383293 0.78 ALDH1A1 (0.50) ALDH1A1HPGDCDC25BCYP3A4HSD17B10
SCHEMBL16985937 0.78 ALDH1A1 (0.57) ALDH1A1HPGDCDC25BCYP3A4HSD17B10
SCHEMBL30062535 0.77 HSD17B10 (0.52) ALDH1A1HPGDCYP3A4HSD17B10ATM
SCHEMBL13250616 0.77 HSD17B10 (0.52) ALDH1A1HPGDCYP3A4HSD17B10ATM
SCHEMBL19801867 0.77 ALDH1A1 (0.49) ALDH1A1HPGDCDC25BCYP3A4HSD17B10
SCHEMBL23168658 0.76 MAPK14 (0.45) ALDH1A1HPGDCDC25BCYP3A4HSD17B10
SCHEMBL17383298 0.76 MAPK14 (0.39) ALDH1A1HPGDCDC25BCYP3A4HSD17B10

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
WO-2017204557-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2017-11-30 — — WO disclosed
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