SCHEMBL6478

SCHEMBL6478

Cc1noc(-c2ccc(Br)cc2)c1NCCc1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.38
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
TP53 P04637 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TTR P02766 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7303 0.81 CYP2A6 (0.38) LPAR1MEN1LMNAKMT2ALPAR3
SCHEMBL1445 0.79 TSHR (0.44) LPAR1FAAHLPAR3TP53SIGMAR1
SCHEMBL7223 0.78 LPAR1 (0.41) LPAR1CYP1A2FAAHLPAR3LPAR2
SCHEMBL4348 0.78 IGF1R (0.43) LPAR1LMNALPAR3KDM4EPOLB
SCHEMBL6642 0.76 LPAR1 (0.39) LPAR1FAAHLPAR3LPAR2BRD4
SCHEMBL6477 0.75 LPAR1 (0.42) LPAR1LMNALPAR3
SCHEMBL7104 0.73 LPAR1 (0.34) LPAR1CYP1A2MEN1LMNAKMT2A
SCHEMBL1166 0.73 LPAR1 (0.47) LPAR1LMNALPAR3LPAR2HDAC1
SCHEMBL11123 0.72 LPAR1 (0.40) LPAR1LPAR3LPAR2HDAC1HDAC8
SCHEMBL6761 0.70 LPAR1 (0.38) LPAR1MEN1KMT2ALPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed