SCHEMBL31409231

SCHEMBL31409231

Nc1ccc(C(c2ccc(N)cc2)c2cc3ccccc3c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.39
TRPM4 Q8TD43 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
HIF1A Q16665 2/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP3A4 P08684 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RAD52 P43351 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
PLAU P00749 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10296824 0.82 TRPM4 (0.47) HPRT1TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL31409233 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4CYP1A2CYP2C9
SCHEMBL31409241 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4CYP1A2CYP2C9
SCHEMBL21158702 0.74 NR3C1 (0.33) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL31067673 0.71 POLB (0.40) HPRT1TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL17064367 0.71 POLB (0.40) HPRT1TRPM4ALDH1A1HSD17B10HIF1A
Hydrochloric Acid SCHEMBL30098306 0.71 TRPM4 (0.45) HPRT1TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL31409235 0.69 CYP3A4 (0.58) ALDH1A1HSD17B10HIF1ACYP3A4TDP1
SCHEMBL1254042 0.69 TRPM4 (0.43) HPRT1TRPM4ALDH1A1HSD17B10HIF1A
SCHEMBL10043606 0.69 PRKCZ (0.55) HPRT1TRPM4MITFALDH1A1HSD17B10

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