SCHEMBL21481994

SCHEMBL21481994

Cc1cccc(Nc2ncc(C(=O)C(C)C)s2)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ RAB9A P51151 3/20 0.74
▸ NPC1 O15118 1/20 0.74
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK14 Q16539 5/20 0.48
▸ MAPK13 O15264 4/20 0.48
▸ MAPK12 P53778 4/20 0.48
▸ MAPK11 Q15759 4/20 0.48
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL5634354 0.81 MAPK13 (0.76) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL5634600 0.79 NPC1 (0.70) SMN1; SMN2RAB9ANPC1MAPK14MAPK13
SCHEMBL5634498 0.79 NPC1 (0.65) SMN1; SMN2RAB9ANPC1MAPK14MAPK13
SCHEMBL5635683 0.78 NPC1 (0.68) SMN1; SMN2RAB9ANPC1MAPK14MAPK13
SCHEMBL5634107 0.77 NPC1 (0.67) SMN1; SMN2RAB9ANPC1MAPK14MAPK13
SCHEMBL5634392 0.77 MAPK13 (0.76) SMN1; SMN2RAB9ANPC1MAPK14MAPK13
SCHEMBL5634236 0.76 NPC1 (0.64) SMN1; SMN2RAB9ANPC1MAPK14MAPK13
SCHEMBL5635186 0.76 NPC1 (0.64) SMN1; SMN2RAB9ANPC1MAPK14MAPK13
SCHEMBL30729284 0.75 CHRNA7 (0.61) SMN1; SMN2RAB9ANPC1KDM4EHPGD
SCHEMBL3408291 0.75 CHRNA7 (0.61) SMN1; SMN2RAB9ANPC1KDM4EHPGD

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-2732819-B1 Compounds that enhance Atoh-1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2019-10-16 — — EP disclosed
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