SCHEMBL3569733

SCHEMBL3569733

CC(C)(C)c1ccc(CC(Nc2ccc(Cl)cc2)C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.46
EPHX1 P07099 4/20 0.42
UTS2R Q9UKP6 2/20 0.41
KIF11 P52732 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NR1H4 Q96RI1 2/20 0.40
FPR2 P25090 1/20 0.40
EPHX2 P34913 1/20 0.40
AVPR1A P37288 1/20 0.40
ACACB O00763 2/20 0.40

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
SCHEMBL28085619 0.86 ALDH1A1 (0.54) MEN1KMT2ANPC1RAB9AEPHX1
SCHEMBL5175711 0.86 ALDH1A1 (0.51) MEN1KMT2ARAB9AEPHX1ALDH1A1
SCHEMBL4530051 0.78 ROCK2 (0.52) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL27744394 0.78 ROCK2 (0.52) CNR1MEN1KMT2ANPC1RAB9A
SCHEMBL3942501 0.77 EPHX1 (0.50) CNR1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL7971029 0.75 CYP2C19 (0.47) MEN1CYP1A2CYP2C19KMT2APOLB
SCHEMBL2738906 0.75 CYP2C19 (0.47) MEN1CYP1A2CYP2C19KMT2APOLB
SCHEMBL15577692 0.74 ALDH1A1 (0.46) CYP2C19KMT2AEPHX1ALDH1A1
SCHEMBL10431760 0.74 NPC1 (0.48) CNR1MEN1CYP2C19KMT2ANPC1
SCHEMBL3277780 0.73 MEN1 (0.45) CNR1MEN1CYP1A2CYP2C19KMT2A

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