SCHEMBL3410252

SCHEMBL3410252

COCc1cc(C=O)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.51
MAPT P10636 1/20 0.37
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
PKM P14618 1/20 0.30
MME P08473 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL13373553 0.80
SCHEMBL9428088 0.77 HCAR2 (0.51) HCAR2MAPTMME
SCHEMBL12726140 0.76 DAO (0.45) MAPTKDM5AKDM5B
SCHEMBL22445250 0.76
SCHEMBL1041484 0.73
SCHEMBL3148910 0.71 HCAR2 (0.53) HCAR2MAPTKDM5AKDM5BPKM
SCHEMBL17369092 0.71
SCHEMBL1531137 0.69
SCHEMBL19732648 0.69
SCHEMBL24323593 0.68 GPR39 (0.36) HCAR2MAPTKDM5B

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-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed