SCHEMBL3586612

SCHEMBL3586612

CC(C)(C)Oc1ccc(CNC(=O)Cc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 4/20 0.62
RAB9A P51151 1/20 0.62
HPGD P15428 4/20 0.58
PPARA Q07869 1/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3581796 0.86 PPARA (0.73) KMT2AALDH1A1RAB9AHPGDPPARA
SCHEMBL3273904 0.81 LMNA (0.70) LMNAKMT2AALDH1A1RAB9AHPGD
SCHEMBL20794904 0.81 LMNA (0.65) LMNAKMT2AALDH1A1RAB9AHPGD
Hydrochloric Acid SCHEMBL4026084 0.80 LMNA (0.68) LMNAKMT2AALDH1A1RAB9AHPGD
SCHEMBL26417587 0.80 HPGD (0.65) LMNAKMT2AALDH1A1RAB9AHPGD
SCHEMBL3581264 0.79 HTR2C (0.53) PPARASMN1; SMN2NPC1
SCHEMBL3578662 0.79 BACE1 (0.56) LMNAKMT2AALDH1A1RAB9AHPGD
SCHEMBL5601436 0.78 KMT2A (0.62) LMNAKMT2AALDH1A1RAB9AHPGD
SCHEMBL28992212 0.77 ALDH1A1 (1.00) LMNAKMT2AALDH1A1RAB9AHPGD
SCHEMBL5861356 0.77 ALDH1A1 (1.00) LMNAKMT2AALDH1A1RAB9AHPGD

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
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed