SCHEMBL8500052

SCHEMBL8500052

Cn1cc(OC(=O)Cl)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.47
HTT P42858 1/20 0.46
IMPDH2 P12268 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
USP2 O75604 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL10698031 0.85 NR4A2 (0.53) NR4A2ALDH1A1LMNAKMT2AMITF
SCHEMBL3416860 0.85 NR4A2 (0.53) NR4A2ALDH1A1LMNAKMT2AMITF
SCHEMBL2350154 0.82 NR4A2 (0.50) NR4A2ALDH1A1LMNAKMT2AMITF
SCHEMBL28034933 0.81 NR4A2 (0.49) NR4A2ALDH1A1LMNAKMT2AMITF
SCHEMBL28095904 0.80 NR4A2 (0.48) NR4A2ALDH1A1LMNAKMT2AMITF
SCHEMBL9283137 0.78 NR4A2 (0.45) NR4A2ALDH1A1LMNAKMT2AMITF
SCHEMBL30773378 0.75 NR4A2 (0.47) NR4A2ALDH1A1LMNAKMT2AMITF
SCHEMBL12614276 0.74 GPR84 (0.52) NR4A2ALDH1A1KMT2ANPSR1POLB
SCHEMBL10863583 0.74 ALDH1A1 (0.51) NR4A2ALDH1A1LMNAKMT2AMITF
SCHEMBL1122106 0.74 PRKCA (0.47) NR4A2KMT2AKDM4EMEN1

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-0610487-B1 NEW AMINOACID DERIVATES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-10 EP disclosed