SCHEMBL16622971

SCHEMBL16622971

NC1(COc2ccc(Br)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
MAOB P27338 2/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
DRD1 P21728 1/20 0.37
PTGER2 P43116 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1823276 0.80 ATF4 (0.44) APPMAOB
SCHEMBL5227714 0.80 APP (0.45) APPCA1CA2CA9
SCHEMBL1824875 0.79 MAOA (0.48) MAOBLTA4HALDH1A1
SCHEMBL20898164 0.76 DRD1 (0.40) APPMAOBATML3MBTL1LTA4H
SCHEMBL1622035 0.73 CHRNB2 (0.43)
SCHEMBL4205437 0.72 TAAR1 (0.42) MAOBLTA4HALDH1A1
SCHEMBL16481264 0.72 DRD1 (0.37) APPMAOBMAPTATML3MBTL1
SCHEMBL20037578 0.72 MPO (0.39) LTA4H
SCHEMBL226222 0.71 HRH3 (0.43) MAOBMAPTCA1CA2CA9
SCHEMBL1977522 0.71 DRD1 (0.58) DRD1PTGER2HRH4KDM4EALDH1A1

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-2857404-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
EP-2857404-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2015-04-08 EP disclosed