SCHEMBL31409233

SCHEMBL31409233

Nc1ccc(C(c2ccc(N)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
KEAP1 Q14145 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR6 P50406 1/20 0.42
SLC6A4 P31645 1/20 0.39
AOC3 Q16853 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.36
PRKCZ Q05513 1/20 0.36

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
SCHEMBL31409241 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL40516 0.84 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL29368878 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL333444 0.81 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL5012390 0.79 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2494544 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL31409231 0.78 HPRT1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL11043032 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL11144344 0.77 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL30602819 0.75 CYP3A4 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219504-A Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2024-12-31 CN claimed
CN-119219504-B Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2025-03-14 CN disclosed
CN-119219504-A Method for synthesizing triarylmethane molecular skeleton by aromatic aldehyde and hydrazine hydrochloride substance 山东金科力电源科技有限公司 2024-12-31 CN disclosed