SCHEMBL26312941

SCHEMBL26312941

CN(I)c1ccc2cc[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
AHR P35869 6/20 0.47
CMA1 P23946 1/20 0.47
TYR P14679 1/20 0.47
ENPP2 Q13822 2/20 0.43
CYP2A6 P11509 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR84 Q9NQS5 1/20 0.39
NLRP3 Q96P20 1/20 0.39
TRPA1 O75762 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ITGB2 P05107 1/20 0.39
ICAM1 P05362 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
SCHEMBL827584 0.84 AHR (0.50) MEN1POLBMAPK1KMT2AAHR
SCHEMBL31084784 0.84 AHR (0.50) MEN1POLBMAPK1KMT2AAHR
SCHEMBL11616880 0.76 TERT (0.52) MEN1POLBMAPK1KMT2AAHR
SCHEMBL14487695 0.75 ENPP2 (0.53) MEN1POLBMAPK1KMT2AAHR
SCHEMBL7087889 0.74 CHRNB4 (0.47) MEN1POLBMAPK1KMT2AAHR
SCHEMBL8433227 0.74 TYR (0.44) MEN1POLBMAPK1KMT2AAHR
SCHEMBL27534535 0.73 ENPP2 (0.50) MEN1POLBMAPK1KMT2AAHR
SCHEMBL7628593 0.73 MAOA (0.49) MEN1POLBMAPK1KMT2AAHR
SCHEMBL21318456 0.72 NLRP3 (0.56) MEN1POLBMAPK1KMT2AAHR
SCHEMBL30026577 0.72 MAOA (0.48) MEN1POLBMAPK1KMT2AAHR

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-4234566-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI Shenzhen (CN) 2023-08-30 EP disclosed