SCHEMBL31349412

SCHEMBL31349412

CCn1c(N2CCOCC2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
THRB P10828 1/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 4/20 0.47
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 5/20 0.45
PKM P14618 1/20 0.45
ACHE P22303 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2D6 P10635 1/20 0.44
CTSB P07858 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL31349364 0.91 ALDH1A1 (0.47) LMNATHRBKMT2AMEN1MAPT
SCHEMBL31349373 0.85 ALDH1A1 (0.54) LMNAKMT2AMEN1MAPTCYP1A2
SCHEMBL31349452 0.79 KDM4E (0.55) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL31349411 0.78 ALDH1A1 (0.54) LMNAKMT2AMEN1MAPTCYP1A2
SCHEMBL20183644 0.74 LMNA (0.51) LMNAKMT2AMEN1MAPTCYP1A2
SCHEMBL4979124 0.73 IRAK4 (0.53) LMNATHRBKMT2AMEN1MAPT
SCHEMBL25598188 0.73 ALDH1A1 (0.66) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL4979115 0.73 KMT2A (0.57) LMNATHRBKMT2AMEN1MAPT
SCHEMBL31349406 0.72 SMN1; SMN2 (0.47) KMT2AMEN1MAPTALDH1A1PKM
SCHEMBL7398859 0.71 HTR3A (0.66)

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
WO-2025005367-A1 NOVEL SATURATED HETEROCYCLE-SUBSTITUTED HETEROARYL-CARBONOHYDRAZONOYL DICYANIDE COMPOUND AND USE THEREOF 한국과학기술연구원 2025-01-02 WO disclosed