SCHEMBL31327474

SCHEMBL31327474

Nc1ccc(-c2c(N)ccc(N)c2-c2ccc(N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.59
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 4/20 0.59
TP53 P04637 2/20 0.59
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 4/20 0.48
TAAR1 Q96RJ0 2/20 0.48
APP P05067 1/20 0.43
THRB P10828 2/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACHE P22303 2/20 0.40
KIF11 P52732 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
CA14 Q9ULX7 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL17541403 1.00 CYP3A4 (0.59) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL9330647 0.89 TDP1 (0.48) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL18889618 0.87 TDP1 (0.46) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL1664218 0.82 TDP1 (0.46) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL1664098 0.82 ALDH1A1 (0.46) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL1664831 0.82 CYP3A4 (0.46) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL38925 0.80 HSD17B10 (0.54) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL651427 0.80 HSD17B10 (0.54) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL6712895 0.80 CYP3A4 (0.54) CYP3A4ALDH1A1TDP1TP53MEN1
SCHEMBL3468830 0.78 ACHE (0.50) CYP3A4ALDH1A1TDP1TP53MEN1

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
CN-119365523-A Articles comprising a combination of polymer aerogel and melamine formaldehyde foam and related systems and methods 气凝胶科技有限责任公司 2025-01-24 CN disclosed