SCHEMBL31178596

SCHEMBL31178596

Cn1c(=O)ncc2cc(Cl)c(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.40
SRC P12931 7/20 0.40
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
GPR35 Q9HC97 1/20 0.36
COMT P21964 1/20 0.34
ACLY P53396 1/20 0.34
MAT2A P31153 1/20 0.33
WEE1 P30291 2/20 0.33
HSP90AA1 P07900 1/20 0.33
DAO P14920 1/20 0.33
TSHR P16473 1/20 0.32
EGFR P00533 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 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
SCHEMBL31743108 0.73 MAT2A (0.48) FGFR1SRCHSD17B10HPGDHTT
SCHEMBL22004332 0.70 ACLY (0.47) HSD17B10HPGDGPR35ACLYTSHR
SCHEMBL17813481 0.68 KMO (0.44) DAOEGFR
SCHEMBL30692889 0.65 CA12 (0.52) HSD17B10HPGDDAO
SCHEMBL8229991 0.65 CA12 (0.52) HSD17B10HPGDDAO
SCHEMBL29714935 0.64 CDC7 (0.44) HSD17B10
SCHEMBL29499630 0.63 MEN1 (0.41) HSD17B10HPGDHTTMAT2ATSHR
SCHEMBL20569436 0.62 CYP19A1 (0.52) HPGD
SCHEMBL30884990 0.62 FGFR1 (0.41) FGFR1SRCHSD17B10HPGDHTT
SCHEMBL22753168 0.62 HPGD (0.33) HSD17B10HPGDTSHR

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-118829642-A Diacylglycerol kinase (DGK) alpha inhibitors and uses thereof 英矽智能科技知识产权有限公司 2024-10-22 CN disclosed