SCHEMBL25947798

SCHEMBL25947798

CCOC(=O)c1c(CN)n(C)c2cc(Cl)c(Br)cc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.50
ALOX5 P09917 8/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 3/20 0.48
PKM P14618 2/20 0.48
GPR55 Q9Y2T6 1/20 0.48
HTT P42858 1/20 0.48
RAD52 P43351 1/20 0.47
P4HB P07237 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 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
SCHEMBL25946427 0.95 TSHR (0.54) TSHRALDH1A1ALOX5KMT2AMAPT
SCHEMBL25947796 0.89 ALDH1A1 (0.51) TSHRALDH1A1ALOX5KMT2AMAPT
SCHEMBL25947794 0.85 ALDH1A1 (0.67) TSHRALDH1A1KMT2AMAPTPKM
SCHEMBL25947454 0.85 ALDH1A1 (0.67) TSHRALDH1A1ALOX5KMT2AMAPT
SCHEMBL25946421 0.84 ALDH1A1 (0.54) TSHRALDH1A1ALOX5KMT2AMAPT
SCHEMBL25947797 0.82 ALDH1A1 (0.45) TSHRALDH1A1ALOX5KMT2AMAPT
SCHEMBL25946349 0.82 ALDH1A1 (0.74) TSHRALDH1A1ALOX5KMT2AMAPT
SCHEMBL25941571 0.81 SMN1; SMN2 (0.54) TSHRALDH1A1ALOX5KMT2AMEN1
SCHEMBL25942412 0.81 TSHR (0.48) TSHRALDH1A1ALOX5KMT2AMAPT
SCHEMBL25946420 0.80 ALDH1A1 (0.71) TSHRALDH1A1KMT2AMAPTPKM

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