SCHEMBL24587409

SCHEMBL24587409

CNc1ncc(OC)cc1SC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 1/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SYK P43405 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL24588293 0.81 PGK1 (0.40) CRHR1HTTPGK1NOS3NOS1
SCHEMBL6652151 0.78 PIK3CA (0.39) KMT2AALDH1A1HSD17B10MEN1LMNA
SCHEMBL25388165 0.76 ALDH1A1 (0.40) KMT2AALDH1A1MEN1CYP1A2MAPT
SCHEMBL30586323 0.76 ALDH1A1 (0.40) KMT2AALDH1A1MEN1CYP1A2MAPT
SCHEMBL28878645 0.76 MAPT (0.36) ALDH1A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL31247578 0.75 MEN1 (0.40) KMT2AMEN1PIK3CAMTORNPC1
SCHEMBL24587298 0.74 NOS3 (0.37) CRHR1KMT2AALDH1A1HSD17B10MEN1
SCHEMBL31421660 0.74 NOS3 (0.37) CRHR1KMT2AALDH1A1HSD17B10MEN1
SCHEMBL9229440 0.69 MAPT (0.40) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL24588117 0.69 LRRK2 (0.41) KMT2AMEN1LMNACYP1A2CYP2C9

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
WO-2022135430-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2022-06-30 WO disclosed