SCHEMBL31349396

SCHEMBL31349396

O=[N+]([O-])c1ccc2nc(N3C4CCC3COC4)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40
RHOA P61586 1/20 0.40
GAA P10253 3/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 3/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL30683859 0.82 MAPT (0.49) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31349389 0.78 NPC1 (0.43) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4700525 0.76 HTR3A (0.60) CHRM4CHRM5CHRM1CHRM3
SCHEMBL14811034 0.76 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31349391 0.76 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31349462 0.76 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31349377 0.75 RHOA (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31349455 0.75 RHOA (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31349382 0.75 HRH4 (0.40) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL31349439 0.75 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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