SCHEMBL6624487

SCHEMBL6624487

N#CC1(C(N)=O)CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.43
MAOA P21397 13/20 0.43
MAOB P27338 13/20 0.43
CTSC P53634 4/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM1 P11229 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
SCHEMBL669219 0.86 MAPK1 (0.44) KDM1AMAOAMAOBCTSCCTSL
SCHEMBL15960825 0.80 MAPT (0.43) KDM1AMAOAMAOBCTSCCTSL
SCHEMBL11880622 0.78 NPC1 (0.41) KDM1AMAOAMAOBCTSCCTSL
SCHEMBL11209553 0.76 SMN1; SMN2 (0.50) CTSCCYP2C19
SCHEMBL10073856 0.76 RORC (0.42) KDM1AMAOAMAOBCTSCCHRM1
SCHEMBL307974 0.73 KDM1A (0.48) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL6628664 0.72 CHRM1 (0.56) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL903405 0.72 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL901505 0.72 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL12498974 0.72 KDM1A (0.47) KDM1AMAOAMAOBMAPK1CYP2C19

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-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO claimed