SCHEMBL19917761

SCHEMBL19917761

CN(CC(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Sc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ LSS P48449 1/20 0.46
▸ HPGD P15428 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ BACE2 Q9Y5Z0 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
SCHEMBL19917705 0.90 TRPA1 (0.51) LMNANPC1RAB9AOPRM1OPRL1
SCHEMBL19917766 0.89 LMNA (0.44) LMNANPC1RAB9APOLBLSS
SCHEMBL19917729 0.87 LMNA (0.48) LMNANPC1RAB9APOLBLSS
SCHEMBL19917760 0.86 TRPA1 (0.46) LMNAHPGDOPRM1OPRL1KMT2A
SCHEMBL19917754 0.86 MAPT (0.42) LMNAPOLBHPGDKMT2AMEN1
SCHEMBL19917770 0.83 LMNA (0.38) LMNAOPRM1OPRL1KMT2AMEN1
SCHEMBL19917757 0.81 TRPA1 (0.54) —
SCHEMBL19917762 0.79 NPC1 (0.46) LMNANPC1RAB9ALSSHPGD
SCHEMBL16894115 0.79 TDP1 (0.55) KMT2AALDH1A1
SCHEMBL19917752 0.79 TRPA1 (0.41) LMNAOPRM1OPRL1ALDH1A1TP53

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-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
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