SCHEMBL24801804

SCHEMBL24801804

CNc1cc(C)cc(C(F)(F)F)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 1/20 0.35
RAPGEF4 Q8WZA2 2/20 0.33
AR P10275 1/20 0.33
RAC1 P63000 1/20 0.33
PAK1 Q13153 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL91657 0.79 SMN1; SMN2 (0.40) MEN1TSHRKMT2ACYP1A2CYP3A4
SCHEMBL10104505 0.79 PTPN5 (0.37) MEN1TSHRKMT2ACYP1A2CYP3A4
SCHEMBL18897494 0.77 NOS3 (0.39) TSHRCYP1A2CYP2C19RAPGEF4ALDH1A1
SCHEMBL10104381 0.76 NCF1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL9281840 0.75 MEN1 (0.38) MEN1TSHRKMT2AALOX15MAPK1
SCHEMBL20274229 0.75 APP (0.49) MEN1TSHRKMT2AALOX15MAPK1
SCHEMBL15761590 0.74 SMN1; SMN2 (0.41) TSHRALOX15HSD17B10CYP3A4RAPGEF4
SCHEMBL13550098 0.73 RAPGEF4 (0.41) MEN1TSHRKMT2AMAPK1HSD17B10
SCHEMBL83777 0.71 SMN1; SMN2 (0.34) MEN1TSHRKMT2ACYP1A2CYP3A4
SCHEMBL9229491 0.71 TAS2R14 (0.53) MEN1TSHRKMT2AALOX15MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed