SCHEMBL31349397

SCHEMBL31349397

O=[N+]([O-])c1cc2oc(=S)[nH]c2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 5/20 0.55
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
LMNA P02545 1/20 0.43
KMO O15229 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KEAP1 Q14145 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.38
FASN P49327 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
SCHEMBL6963040 0.83 KMO (0.64) CA12CA9LMNAKMOALDH1A1
SCHEMBL5695541 0.72 PSMB8 (0.44) PSMB8LMNAALDH1A1TSHRMAPK1
SCHEMBL30683873 0.71 PSMB8 (0.77) PSMB8CA12CA9ALDH1A1KEAP1
SCHEMBL30278461 0.71 PSMB8 (1.00) PSMB8LMNAALDH1A1CYP3A4
SCHEMBL2074264 0.71 PSMB8 (1.00) PSMB8LMNAALDH1A1CYP3A4
SCHEMBL1292035 0.69 GRIA2 (0.74) CA12CA9LMNAALDH1A1TSHR
SCHEMBL1192728 0.69 MAPT (0.57) CA12CA9LMNAALDH1A1TSHR
SCHEMBL9180125 0.69 TSHR (0.62) ALDH1A1TSHRMAPK1CYP3A4
SCHEMBL7410133 0.68 CA12 (0.55) CA12CA9KMOFASN
SCHEMBL359519 0.67 TSHR (0.60) ALDH1A1TSHRMAPK1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737445-A1 NOVEL SATURATED HETEROCYCLE-SUBSTITUTED HETEROARYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF Korea Institute of Science and Technology (KR) 2026-05-06 EP disclosed
WO-2025005367-A1 NOVEL SATURATED HETEROCYCLE-SUBSTITUTED HETEROARYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF 한국과학기술연구원 2025-01-02 WO disclosed