SCHEMBL9319785

SCHEMBL9319785

O=C(O)Oc1ccnc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
SMARCA2 P51531 5/20 0.41
SMARCA4 P51532 4/20 0.41
TRPA1 O75762 1/20 0.38
FFAR1 O14842 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PPARG P37231 1/20 0.36
NFE2L2 Q16236 1/20 0.35
KMO O15229 1/20 0.35
GRM5 P41594 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33

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
SCHEMBL2860423 0.87 LMNA (0.46) RECQLSMARCA2SMARCA4CYP11B1CYP11B2
SCHEMBL9650144 0.85 RECQL (0.41) RECQLSMARCA2SMARCA4TRPA1FFAR1
SCHEMBL15880529 0.83 MEN1 (0.52) RECQLSMARCA2SMARCA4FFAR1CCNC
SCHEMBL27828983 0.81 KMT2A (0.54) GRM5ALDH1A1KDM4EMAPT
SCHEMBL9324832 0.80 SMARCA2 (0.43) RECQLSMARCA2SMARCA4CYP11B1CYP11B2
SCHEMBL2637576 0.80 CCR1 (0.52) ALDH1A1KDM4EKDM6BTET3KDM4A
SCHEMBL27680292 0.79 ACHE (0.46) RECQLSMARCA2SMARCA4LOXLOXL3
SCHEMBL27703246 0.79 ELANE (0.49) SMARCA2SMARCA4
SCHEMBL9325940 0.79 RAB9A (0.53) CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL29191836 0.79 KMT2A (0.56) SMARCA2SMARCA4HTTALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300461-B1 Aromatic heterocyclic peroxyacids AUSIMONT SPA (IT) 1994-01-12 EP claimed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP disclosed