SCHEMBL15865840

SCHEMBL15865840

Cc1cc(C)c(NC(=O)C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAPGEF4 Q8WZA2 2/20 0.41
▸ AKT1 P31749 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL26575330 0.88 ALDH1A1 (0.55) HTTALDH1A1LMNARAPGEF4L3MBTL1
SCHEMBL23885529 0.80 HTT (0.47) HTTALDH1A1LMNASMN1; SMN2RAPGEF4
SCHEMBL30254442 0.80 HTT (0.47) HTTALDH1A1LMNASMN1; SMN2RAPGEF4
SCHEMBL2404797 0.79 METAP2 (0.49) HTTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL11050934 0.76 LMNA (0.38) HTTALDH1A1LMNASMN1; SMN2RAPGEF4
SCHEMBL21104699 0.74 ALDH1A1 (0.43) HTTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL26109917 0.74 L3MBTL1 (0.41) HTTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL14910293 0.74 ALDH1A1 (0.54) HTTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL2331083 0.74 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2406142 0.73 HTT (0.44) HTTALDH1A1LMNAL3MBTL1

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
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
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