SCHEMBL25947797

SCHEMBL25947797

CCOC(=O)c1c(CN=[N+]=[N-])n(C)c2cc(Cl)c(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ALOX5 P09917 7/20 0.45
KMT2A Q03164 5/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
P4HB P07237 1/20 0.44
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
PKM P14618 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL25946426 0.96 ALDH1A1 (0.47) ALDH1A1ALOX5KMT2ATSHRMAPT
SCHEMBL25947452 0.87 ALDH1A1 (0.60) ALDH1A1ALOX5KMT2ATSHRMAPT
SCHEMBL25946348 0.84 ALDH1A1 (0.66) ALDH1A1ALOX5KMT2ATSHRMAPT
SCHEMBL25947796 0.83 ALDH1A1 (0.51) ALDH1A1ALOX5KMT2ATSHRMAPT
SCHEMBL25947798 0.82 TSHR (0.52) ALDH1A1ALOX5KMT2ATSHRMAPT
SCHEMBL25941804 0.81 RAD52 (0.41) ALDH1A1ALOX5KMT2ATSHRMAPT
SCHEMBL25947794 0.80 ALDH1A1 (0.67) ALDH1A1KMT2ATSHRMAPTPKM
SCHEMBL25946421 0.79 ALDH1A1 (0.54) ALDH1A1ALOX5KMT2ATSHRMAPT
SCHEMBL25941525 0.78 KDM4E (0.53) ALDH1A1ALOX5KMT2ATSHRMEN1
SCHEMBL25946427 0.78 TSHR (0.54) ALDH1A1ALOX5KMT2ATSHRMAPT

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-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed