SCHEMBL31501409

SCHEMBL31501409

Nc1ccc(-c2cc(-c3ccccc3)c(N)c(-c3ccccc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.65
CYP3A4 P08684 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
TAAR1 Q96RJ0 2/20 0.65
ALDH1A1 P00352 5/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.46
IKBKB O14920 4/20 0.46
CHUK O15111 4/20 0.46
IKBKE Q14164 1/20 0.46

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
SCHEMBL1638704 0.91 IKBKB (0.51) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL5016738 0.89 HSD17B10 (0.52) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL20262955 0.85 HSD17B10 (0.62) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL17465461 0.84 CYP3A4 (0.83) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL30870668 0.84 CYP3A4 (0.83) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL12957685 0.83 HSD17B10 (0.60) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL25692996 0.83 HSD17B10 (0.65) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL25629337 0.83 HSD17B10 (0.65) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL27694636 0.82 HSD17B10 (0.64) HSD17B10CYP3A4TDP1TAAR1ALDH1A1
SCHEMBL25301802 0.81 HSD17B10 (0.79) HSD17B10CYP3A4TDP1TAAR1ALDH1A1

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-119707312-A Perovskite-perovskite heterogeneous double-layer film and application thereof 南京工业大学 2025-03-28 CN disclosed