SCHEMBL2167

SCHEMBL2167

Cc1noc(-c2ccc(Br)cc2)c1CNc1ccccc1C(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR2 Q9HBW0 2/20 0.35
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2168 0.80 P2RX7 (0.37) P2RX7ALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL1623 0.74 LMNA (0.45) LPAR1LPAR3ALDH1A1MEN1KMT2A
SCHEMBL5419 0.74 TDP1 (0.41) P2RX7ALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL4661227 0.74 MEN1 (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1690 0.73 LPAR1 (0.40) LPAR1LPAR3ALDH1A1CYP2C9CYP1A2
SCHEMBL1691 0.73 LPAR1 (0.40) LPAR1LPAR3ALDH1A1CYP2C9CYP1A2
SCHEMBL6464 0.72 MEN1 (0.55) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL18597812 0.72 CYP1A2 (0.44) ALDH1A1CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL7056 0.71 KMT2A (0.43) LPAR1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL9530 0.71 BCHE (0.43) ALDH1A1CYP1A2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed