SCHEMBL3582883

SCHEMBL3582883

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2cccnc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
ESRRG P62508 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
ESRRB O95718 1/20 0.35
C5AR1 P21730 1/20 0.35
PTGER2 P43116 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL3583632 0.90 RAF1 (0.37) RAF1MAP2K1OPRM1OPRD1HCRTR1
SCHEMBL3573203 0.89 RAF1 (0.40) RAF1MAP2K1MAPTMEN1KMT2A
SCHEMBL3580658 0.87 RAF1 (0.39) RAF1MAP2K1MEN1KMT2ACYP2C19
SCHEMBL3576619 0.85 SLC2A1 (0.43) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL3578664 0.85 CYP2C19 (0.39) MAPTMEN1KMT2ACYP2C19OPRM1
SCHEMBL3575452 0.84 KMT2A (0.42) RAF1MAP2K1NPC1RAB9AMEN1
SCHEMBL3581464 0.84 TRPV1 (0.41) RAF1MAP2K1MAPTMEN1KMT2A
SCHEMBL3580336 0.84 MAPT (0.42) RAF1MAP2K1MAPTMEN1KMT2A
SCHEMBL3581747 0.84 CCR9 (0.39) RAF1MAP2K1MAPTMEN1KMT2A
SCHEMBL3576126 0.83 CYP2C19 (0.37) MAPTMEN1KMT2ACYP2C19OPRM1

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