SCHEMBL31349367

SCHEMBL31349367

CC(C)N1CCN(c2nc3ccc([N+](=O)[O-])cc3o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.42
CASP3 P42574 1/20 0.42
HTR6 P50406 1/20 0.41
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL6488937 0.86 APP (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31349462 0.85 NPC1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31349474 0.84 GAA (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL14811034 0.83 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31349437 0.82 RAB9A (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31349431 0.81 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31349381 0.79 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31349423 0.79
SCHEMBL31349428 0.77 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3356620 0.77 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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