SCHEMBL3706771

SCHEMBL3706771

Cc1noc(-c2ccc(Br)cn2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.43
SCN9A Q15858 4/20 0.43
LPAR3 Q9UBY5 3/20 0.43
SCN5A Q14524 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
P2RX7 Q99572 2/20 0.36
SLC26A6 Q9BXS9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 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
SCHEMBL2332531 0.88 LPAR1 (0.52) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL3712501 0.85 LPAR1 (0.59) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL2343000 0.84 SCN9A (0.43) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL3713322 0.83 LPAR1 (0.47) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL3702178 0.83 LPAR1 (0.49) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL3700802 0.83 LPAR1 (0.46) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL3711163 0.82 LPAR1 (0.46) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL2339641 0.81 LPAR1 (0.46) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL3710547 0.81 LPAR1 (0.57) LPAR1SCN9ALPAR3SCN5ALPAR2
SCHEMBL3706535 0.80 LPAR1 (0.53) LPAR1SCN9ALPAR3SCN5ALPAR2

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed