SCHEMBL31415475

SCHEMBL31415475

Cc1noc(-c2cc([N+](=O)[O-])ccc2C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 3/20 0.45
PIK3CD O00329 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
NPBWR1 P48145 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.40
CYP19A1 P11511 1/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40

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
SCHEMBL31415253 0.82 ALDH1A1 (0.43) ALDH1A1TDP1TSHRGAAMAPT
SCHEMBL5330904 0.78 MAPT (0.61) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL12653007 0.77 NPC1 (0.70) ALDH1A1TDP1GAAMAPTCYP3A4
SCHEMBL16481865 0.76 RAB9A (0.46) ALDH1A1TDP1TSHRGAAMAPT
SCHEMBL4265596 0.73 ALDH1A1 (0.49) ALDH1A1TDP1TSHRMAPTCYP3A4
SCHEMBL11980663 0.73 ALDH1A1 (0.49) ALDH1A1TDP1TSHRMAPTCYP3A4
SCHEMBL19551446 0.73 ALDH1A1 (0.50) ALDH1A1TDP1GAAMAPTCYP3A4
SCHEMBL12909247 0.73 ACHE (0.46) TSHRGAAMAPTPIK3CDMTOR
SCHEMBL31415554 0.73 ACHE (0.59) ALDH1A1TSHRGAAMAPTPIK3CD
SCHEMBL6367373 0.73 MAPT (0.59) ALDH1A1TDP1GAAMAPTNPC1

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-2025054368-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed