SCHEMBL6444286

SCHEMBL6444286

Cc1cccc(C)c1CNC(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL5273175 0.88 RAB9A (0.44) LMNATP53HTTRAB9AMEN1
SCHEMBL5270032 0.79 POLB (0.54) LMNATP53HTTRAB9AMEN1
SCHEMBL5272037 0.79 POLB (0.54) LMNATP53HTTRAB9AMEN1
SCHEMBL5268041 0.78 SMN1; SMN2 (0.49) LMNATP53HTTRAB9AMEN1
SCHEMBL5268227 0.77 TP53 (0.41) LMNATP53HTTRAB9AMEN1
SCHEMBL5274435 0.77 RAPGEF4 (0.42) LMNATP53HTTRAB9AMEN1
SCHEMBL13267555 0.76 LMNA (0.53) LMNATP53HTTRAB9AMEN1
SCHEMBL13627131 0.76 LMNA (0.53) LMNATP53HTTRAB9AMEN1
SCHEMBL5269101 0.75 CASR (0.46) LMNATP53HTTRAB9AMEN1
SCHEMBL5269254 0.75 ADRB2 (0.42) LMNAHTTMEN1KMT2ACYP2D6

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
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed