SCHEMBL3576790

SCHEMBL3576790

CC(C)(C)c1ccc(CNCCc2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
SCN8A Q9UQD0 1/20 0.42
DAO P14920 1/20 0.40
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CCR3 P51677 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL9958370 0.82 ROCK1 (0.47) CA1CA2SCN8AKMT2AGAA
SCHEMBL5176818 0.81 CA1 (0.62) CA1CA2SCN8AKMT2AGAA
SCHEMBL13778175 0.78 ALDH1A1 (0.56) CA1CA2KMT2AGAAKDM4E
SCHEMBL22493337 0.77 DAO (0.45) DAOKMT2AGAAKDM4EKDM1A
SCHEMBL3580858 0.76 CA1 (0.48) CA1CA2SCN8AKMT2AGAA
SCHEMBL14303885 0.76 HRH3 (0.47) DAOKMT2AGAAKDM1AMAOA
SCHEMBL1397552 0.76 ROCK1 (0.52) SCN8AKMT2AKDM4EMEN1LMNA
SCHEMBL20902780 0.76 CA1 (0.71) CA1CA2KMT2AGAAHDAC3
SCHEMBL3576786 0.75 P2RX7 (0.50) EPHX2NR1H4LMNA
SCHEMBL27828893 0.74 MRGPRX4 (0.50) DAOKMT2AKDM4EHDAC1HDAC6

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