SCHEMBL2332608

SCHEMBL2332608

CC[C@H](N)c1nc2cc(Cl)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.42
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TBXA2R P21731 2/20 0.37
S1PR1 P21453 1/20 0.37
ADORA2A P29274 1/20 0.36
NR1H2 P55055 1/20 0.36
CTSD P07339 1/20 0.36
KCNH2 Q12809 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
KMT2A Q03164 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
SCHEMBL4149003 0.79 TBXA2R (0.44) BACE1TBXA2RNR1H2KMT2A
SCHEMBL6221657 0.78 TBXA2R (0.47) BACE1TBXA2RNR1H2KMT2A
SCHEMBL22955468 0.77 TBXA2R (0.41) BACE1TBXA2RNR1H2KMT2A
SCHEMBL6262451 0.70 ALOX5AP (0.46) BACE1
SCHEMBL6737502 0.70 BRD4 (0.42) LMNAADORA2ANR1H2KMT2A
SCHEMBL1283797 0.69 PIK3CA (0.41) TBXA2R
SCHEMBL29594722 0.69 HSP90AA1 (0.39) LMNANR1H2KMT2A
SCHEMBL20915779 0.69 HSP90AA1 (0.39) LMNANR1H2KMT2A
SCHEMBL6224033 0.68 BRD4 (0.44) TBXA2RADORA2A
SCHEMBL30828711 0.68 BRD4 (0.44) TBXA2RADORA2A

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
EP-1771441-B1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed