SCHEMBL14960361

SCHEMBL14960361

Cn1nc(-c2ccc(C(=O)c3ccccc3F)s2)cc1C(C)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.54
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ STIM1 Q13586 5/20 0.41
▸ ORAI1 Q96D31 5/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ HSD17B1 P14061 6/20 0.40
▸ HSD17B2 P37059 6/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL1593863 0.93 ALDH1A1 (0.63) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL1594122 0.78 ALDH1A1 (0.67) ALDH1A1MEN1HPGDKMT2AGAA
SCHEMBL1594571 0.74 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1PTGES2HSD17B1
SCHEMBL1593805 0.74 ALDH1A1 (0.61) ALDH1A1GAAL3MBTL1PTGES2HSD17B1
SCHEMBL1593531 0.74 ALDH1A1 (0.64) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL19400063 0.74 ALDH1A1 (0.55) ALDH1A1HPGDMAPTGAAL3MBTL1
SCHEMBL1595142 0.73 ALDH1A1 (0.71) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL2058323 0.73 ALDH1A1 (0.74) ALDH1A1HPGDGAAL3MBTL1PTGES2
SCHEMBL1574357 0.73 ALDH1A1 (0.74) ALDH1A1HPGDMAPTGAAL3MBTL1
SCHEMBL1594595 0.72 ALDH1A1 (0.65) ALDH1A1MAPTGAAL3MBTL1PTGES2

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
EP-1989185-B1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS INC (US) 2013-05-22 — — EP disclosed
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