SCHEMBL9899562

SCHEMBL9899562

O=C(Nc1ccncc1Br)OCCc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
CHRNA7 P36544 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LRRK2 Q5S007 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX7 Q99572 2/20 0.38
SGMS2 Q8NHU3 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL9900135 0.82 BCL6 (0.39) BCHEACHECHRNA7SMN1; SMN2TRPV1
SCHEMBL9899749 0.75 SLC22A12 (0.42) BCHEACHECHRNA7TRPV1MEN1
SCHEMBL9899393 0.75 LPAR1 (0.40) BCHEACHEP2RX7
SCHEMBL9899560 0.72 LPAR1 (0.51) BCHEACHE
SCHEMBL1128597 0.71 BCHE (0.49) BCHEACHESMN1; SMN2TRPV1MEN1
SCHEMBL27741038 0.68 ALDH1A1 (0.48) SMN1; SMN2TRPV1MEN1PKMCASP3
SCHEMBL20940182 0.68 TAAR1 (0.44) L3MBTL1CASP3SENP8SENP7SENP6
SCHEMBL27449727 0.68 TAAR1 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL2339641 0.67 LPAR1 (0.46) SMN1; SMN2P2RX7MEN1PKMCASP3
SCHEMBL1247206 0.67 SCN9A (0.61) SMN1; SMN2TDP1MEN1KMT2A

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-2648714-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed