SCHEMBL31409237

SCHEMBL31409237

CCc1cc(C(c2ccc(C)cc2)c2ccc(N)c(C)c2)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 4/20 0.36
CYP3A4 P08684 4/20 0.36
TSHR P16473 2/20 0.36
SKP2 Q13309 1/20 0.36
ESR1 P03372 2/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 4/20 0.32
RAD52 P43351 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.31

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
SCHEMBL13070208 0.87 ALDH1A1 (0.46) S100BALDH1A1MAPTTDP1CYP3A4
SCHEMBL31409207 0.87 ALDH1A1 (0.46) S100BALDH1A1MAPTTDP1CYP3A4
SCHEMBL11468860 0.82 ALDH1A1 (0.41) S100BALDH1A1MAPTPOLBTDP1
SCHEMBL22050657 0.81 ALDH1A1 (0.41) S100BALDH1A1MAPTPOLBTDP1
SCHEMBL29278563 0.80 ALDH1A1 (0.40) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL5166514 0.79 CYP3A4 (0.54) S100BALDH1A1MAPTTDP1CYP3A4
SCHEMBL30749457 0.79 CYP3A4 (0.54) S100BALDH1A1MAPTTDP1CYP3A4
SCHEMBL109819 0.76 CYP3A4 (0.46) S100BALDH1A1MAPTTDP1CYP3A4
SCHEMBL30602820 0.76 CYP3A4 (0.46) S100BALDH1A1MAPTTDP1CYP3A4
SCHEMBL743578 0.74 CYP3A4 (0.45) S100BALDH1A1MAPTTDP1CYP3A4

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