SCHEMBL12989271

SCHEMBL12989271

[2H]C([2H])([2H])C([2H])(OC(=O)Nc1c(Br)cnn1C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.52
LPAR3 Q9UBY5 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL12989367 0.83 LPAR1 (0.72) LPAR1LPAR3MEN1KMT2A
SCHEMBL12988949 0.83 LPAR1 (0.72) LPAR1LPAR3MEN1KMT2A
SCHEMBL12989650 0.76 LPAR1 (0.77) LPAR1LPAR3
SCHEMBL12989052 0.73 LPAR1 (0.73) LPAR1LPAR3MEN1KMT2A
SCHEMBL14710744 0.72 SMN1; SMN2 (0.53) LPAR1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL23917462 0.72 LPAR1 (0.57) LPAR1LPAR3MEN1KMT2A
SCHEMBL23087216 0.71 MEN1 (0.66) MEN1KMT2AHTTCYP1A2CYP2C19
SCHEMBL12988950 0.71 ROCK2 (0.46) LPAR1MEN1KMT2AHTTLMNA
SCHEMBL16477201 0.70 LPAR1 (0.74) LPAR1LPAR3CYP2C19
SCHEMBL13195363 0.70 LPAR1 (0.87) LPAR1LPAR3

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-2012138648-A1 COMPOSITIONS AND METHODS FOR MODULATING LPA RECEPTORS IRM LLC (BM) 2012-10-11 WO disclosed