SCHEMBL31547716

SCHEMBL31547716

CNC(=O)c1cccc(C)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.54
TAS1R1 Q7RTX1 2/20 0.54
TAS1R2 Q8TE23 2/20 0.54
PLK1 P53350 1/20 0.50
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 3/20 0.43
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7981657 1.00 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2PLK1GAA
SCHEMBL3786271 0.88 PLK1 (0.57) TAS1R3TAS1R1TAS1R2PLK1GAA
SCHEMBL7654147 0.85 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2GAAKDM4E
SCHEMBL16080763 0.83 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL4143751 0.82 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2PLK1GAA
SCHEMBL21391472 0.81 PLK1 (0.50) TAS1R3TAS1R1TAS1R2PLK1GAA
SCHEMBL27406399 0.80 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2ALDH1A1P2RX7
SCHEMBL13841435 0.80 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL4155499 0.80 PLK1 (0.53) TAS1R3TAS1R1TAS1R2PLK1GAA
SCHEMBL30339452 0.80 PLK1 (0.53) TAS1R3TAS1R1TAS1R2PLK1GAA

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-2025073702-A1 PROCESS FOR PREPARING AROMATIC AMINES FROM ARYL CHLORIDES BASF SE (DE) 2025-04-10 WO disclosed