SCHEMBL3580858

SCHEMBL3580858

CC(C)(C)c1ccc(CNCCc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
SCN8A Q9UQD0 1/20 0.41
ROCK1 Q13464 1/20 0.39
KMT2A Q03164 1/20 0.38
PHGDH O43175 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 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

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
SCHEMBL17240471 0.78 RAB9A (0.55) CA1CA2KMT2ASMN1; SMN2
SCHEMBL3580855 0.77 P2RX7 (0.46)
SCHEMBL3576790 0.76 CA1 (0.47) CA1CA2SCN8AKMT2AKDM4E
SCHEMBL5176818 0.76 CA1 (0.62) CA1CA2SCN8AKMT2AGAA
SCHEMBL13778175 0.76 ALDH1A1 (0.56) CA1CA2KMT2AKDM4EMITF
SCHEMBL26049444 0.75 ADRB1 (0.51) ADRB1
SCHEMBL3235999 0.75 KDM4E (0.58) CA1CA2SCN8AROCK1KMT2A
SCHEMBL9958370 0.74 ROCK1 (0.47) CA1CA2SCN8AROCK1KMT2A
SCHEMBL20902780 0.74 CA1 (0.71) CA1CA2KMT2AGAAHDAC3
SCHEMBL5177111 0.72 CA1 (0.48) CA1CA2SCN8AKMT2AKDM4E

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 3 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-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed