SCHEMBL20103538

SCHEMBL20103538

COC(=O)C(C)(F)Cc1ccnc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.41
LOX P28300 1/20 0.41
LOXL3 P58215 1/20 0.41
SMARCA2 P51531 5/20 0.40
SMARCA4 P51532 4/20 0.40
GRM5 P41594 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
P2RX3 P56373 1/20 0.36
AR P10275 1/20 0.36
NR3C2 P08235 1/20 0.36
ATR Q13535 1/20 0.35
EPHX1 P07099 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL22230054 0.86 RECQL (0.47) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL30977141 0.86 RECQL (0.47) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL30935612 0.78 RECQL (0.45) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL31367160 0.75 RECQL (0.49) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL25388344 0.74 LOXL2 (0.50) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL31293733 0.73 LOXL2 (0.57) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL12017629 0.73 LOX (0.57) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL27572843 0.73 RECQL (0.46) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL8268650 0.73 RECQL (0.53) RECQLLOXL2LOXLOXL3SMARCA2
SCHEMBL20103587 0.72 PTPRB (0.40) LOXL2ALDH1A1MRGPRX4

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
WO-2018081047-A1 CYCLOHEXYL GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed