SCHEMBL9966136

SCHEMBL9966136

Cn1nc(-c2ccc(C(=O)N3CCC(ON)(C(F)(F)F)CC3)s2)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ GAA P10253 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ RAB9A P51151 7/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ LMNA P02545 2/20 0.35

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
SCHEMBL1594300 0.86 ALDH1A1 (0.58) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1595349 0.86 ALDH1A1 (0.60) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1594739 0.85 ALDH1A1 (0.68) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1593690 0.83 ALDH1A1 (0.65) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1594515 0.83 ALDH1A1 (0.65) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1593789 0.82 ALDH1A1 (0.64) ALDH1A1GAAPOLBL3MBTL1RAB9A
SCHEMBL1594752 0.82 ALDH1A1 (0.64) ALDH1A1GAAPOLBL3MBTL1RAB9A
SCHEMBL1594712 0.82 ALDH1A1 (0.64) ALDH1A1GAAPOLBL3MBTL1RAB9A
SCHEMBL1594579 0.82 ALDH1A1 (0.64) ALDH1A1GAAPOLBL3MBTL1PTGES2
SCHEMBL1595135 0.82 ALDH1A1 (0.56) ALDH1A1GAAPOLBL3MBTL1RAB9A

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
EP-2465850-A1 THERAPEUTIC COMPOUNDS Helicon Therapeutics, Inc. (US) 2012-06-20 — — EP disclosed
WO-2007100851-A1 THERAPEUTIC COMPOUNDS HELICON THERAPEUTICS, INC. (US) 2007-09-07 — — WO disclosed
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