SCHEMBL31598693

SCHEMBL31598693

COC(=O)c1ccncc1-c1c(OC)ccc(Cl)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
GLA P06280 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
LMNA P02545 1/20 0.40
KCNMA1 Q12791 1/20 0.40
STIM1 Q13586 1/20 0.40
ORAI1 Q96D31 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TGFBR1 P36897 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL32670579 1.00 ALDH1A1 (0.45) ALDH1A1GLAKDM4EGAAL3MBTL1
SCHEMBL30905011 0.89 KDM4C (0.42) ALDH1A1KDM4EL3MBTL1JAK2JAK1
SCHEMBL24501461 0.80 GPBAR1 (0.49) ALDH1A1GLAKDM4EGAAL3MBTL1
SCHEMBL29694912 0.80 GPBAR1 (0.49) ALDH1A1GLAKDM4EGAAL3MBTL1
SCHEMBL31598651 0.80 KCNQ3 (0.41) ALDH1A1GLAGAAL3MBTL1JAK2
SCHEMBL31295035 0.79 POLQ (0.50) ALDH1A1GLAKMT2ASMN1; SMN2MEN1
SCHEMBL30898533 0.79 POLQ (0.50) ALDH1A1GLAKMT2ASMN1; SMN2MEN1
SCHEMBL30282794 0.79 POLQ (0.50) ALDH1A1GLAKMT2ASMN1; SMN2MEN1
SCHEMBL29212802 0.79 POLQ (0.50) ALDH1A1GLAKMT2ASMN1; SMN2MEN1
SCHEMBL31318712 0.76 KCNMA1 (0.54) ALDH1A1GLAKDM4EGAALMNA

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-120077028-A Thiadiazole derivative, composition and application thereof 北京丹擎医药科技有限公司 2025-05-30 CN disclosed