SCHEMBL25946273

SCHEMBL25946273

Cc1c(C#N)c2ccc(Br)cc2n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
MAOA P21397 3/20 0.37
CYP11B2 P19099 2/20 0.37
CYP11B1 P15538 1/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
STAT3 P40763 1/20 0.37
TSHR P16473 4/20 0.37
LMNA P02545 5/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.35

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
SCHEMBL29989268 0.87 EGFR (0.38) EGFRSRCMAPK1ALDH1A1STAT3
SCHEMBL14204640 0.81 ALDH1A1 (0.41) MAOAMAPK1ALDH1A1STAT3TSHR
SCHEMBL25946277 0.80 ALDH1A1 (0.45) EGFRSRCMAOACYP11B2CYP11B1
SCHEMBL25946281 0.78 ALDH1A1 (0.44) EGFRSRCMAOACYP11B2CYP11B1
SCHEMBL10192294 0.76 CLK1 (0.43) MAOAMAPK1ALDH1A1TSHRLMNA
SCHEMBL1161411 0.75 EGFR (0.64) EGFRSRCCYP11B2MAPK1ALDH1A1
SCHEMBL28794894 0.74 HTT (0.43) MAPK1ALDH1A1LMNAL3MBTL1TDP1
SCHEMBL23410062 0.74 EGLN1 (0.53) MAPK1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL29891748 0.74 PTGES (0.42) EGFRSRCMAOACYP11B2CYP11B1
SCHEMBL23410108 0.74 PTGES (0.42) EGFRSRCMAOACYP11B2CYP11B1

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