SCHEMBL30133185

SCHEMBL30133185

Cn1cnc(-c2cccc(O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.56
HSD17B2 P37059 6/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2E1 P05181 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP2C19 P33261 1/20 0.56
FYN P06241 6/20 0.47
CYP3A4 P08684 1/20 0.45
METAP2 P50579 1/20 0.45
PIK3CA P42336 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
PIK3R1 P27986 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
SCHEMBL8258647 0.80 CYP2E1 (0.57) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL10985144 0.79 CYP2E1 (0.51) HSD17B1HSD17B2CYP2C9CYP2E1CYP2A6
SCHEMBL311156 0.79 CYP2E1 (0.65) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL23539461 0.79 CYP2E1 (0.56) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL30042352 0.79 CYP2E1 (0.56) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL9657296 0.79 CYP2E1 (0.56) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL3919604 0.79 CYP2E1 (0.56) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL21566689 0.76 CYP2E1 (0.53) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL17300882 0.76 CYP2E1 (0.53) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19
SCHEMBL17304016 0.76 CYP2E1 (0.53) CYP2C9CYP2E1CYP2A6CYP2B6CYP2C19

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
CN-115605596-A Compositions and methods for inducible alternative splicing modulation of gene expression 费城儿童医院(US) 2023-01-13 CN disclosed