SCHEMBL3569734

SCHEMBL3569734

CC(C)(C)c1ccc(CNCCNc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
RHOC P08134 1/20 0.51
RHOA P61586 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
CHRM2 P08172 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
RAB9A P51151 2/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 1/20 0.44
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL30301291 0.85 CA1 (0.60) CNR1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL5175715 0.84 KMT2A (0.50) MEN1CYP1A2CYP2C19KMT2ADRD2
Hydrochloric Acid SCHEMBL9458378 0.84 CA1 (0.59) CNR1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3959831 0.84 MEN1 (0.63) CNR1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL3244925 0.83 CA1 (0.62) CNR1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL25381118 0.82 CA1 (0.58) MEN1KMT2ACA1CA2KDM4E
SCHEMBL12521058 0.80 CHRM2 (0.57) CNR1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12829576 0.80 CA1 (0.57) MEN1KMT2ACHRM2CA1CA2
SCHEMBL5184746 0.76 CA1 (0.70) MEN1KMT2ACA1CA2RAB9A
SCHEMBL11094422 0.76 CHRM2 (0.75) MEN1CYP2C19KMT2ASMN1; SMN2CHRM2

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