SCHEMBL4044914

SCHEMBL4044914

O=C(O)c1c(Cl)c(-c2ccccc2)n2c1CN(C(=O)N1CCOCC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
CSNK1E P49674 2/20 0.43
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL4044338 0.91 CSNK1E (0.51) AKR1C3CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL4041706 0.84 CSNK1E (0.42) KMT2ACSNK1E
SCHEMBL14368458 0.80 CSNK1E (0.65) TSHRCSNK1E
SCHEMBL6631721 0.76 MEN1 (0.53) ALDH1A1KMT2AKDM4E
SCHEMBL13963964 0.74 CSNK1E (0.49) CYP2C9CYP2C19TSHRALDH1A1CSNK1E
SCHEMBL14368446 0.73 CSNK1E (0.51) CYP2C9CYP2C19CSNK1EHPGD
SCHEMBL13964275 0.73 CSNK1E (0.76) CSNK1E
SCHEMBL6658946 0.73 P2RX7 (0.41) CYP2C9KMT2ACSNK1E
SCHEMBL4045067 0.72 SMN1; SMN2 (0.50) ALDH1A1KMT2ACSNK1ERAB9AHTT
SCHEMBL14368444 0.71 FAAH (0.49) CSNK1ERAB9AHTT

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-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed