SCHEMBL31409228

SCHEMBL31409228

COc1cccc(C(c2ccc(N)cc2)c2ccc(N)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP19A1 P11511 2/20 0.51
AOC3 Q16853 3/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL13295542 0.87 CASR (0.53) ALDH1A1CYP3A4AOC3MGAMGAA
SCHEMBL14205688 0.87 CASR (0.53) ALDH1A1CYP3A4AOC3MGAMGAA
SCHEMBL1050770 0.85 CASR (0.54) ALDH1A1CYP3A4AOC3MGAMGAA
Benzene SCHEMBL11146992 0.85 CASR (0.54) ALDH1A1CYP3A4AOC3MGAMGAA
SCHEMBL31409198 0.83 TDP1 (0.52) SMN1; SMN2ALDH1A1CYP3A4CYP19A1TDP1
SCHEMBL1758212 0.82 AOC3 (0.47) AOC3L3MBTL1MEN1KMT2AACHE
SCHEMBL13523894 0.81 TDP1 (0.73) SMN1; SMN2ALDH1A1CYP3A4AOC3TDP1
SCHEMBL22050359 0.80 MEN1 (0.40) SMN1; SMN2ALDH1A1CYP3A4CYP19A1GAA
SCHEMBL18195527 0.78 ACHE (0.67) ALDH1A1CYP3A4AOC3MGAMGAA
SCHEMBL30601580 0.77 HDAC4 (0.55) ALDH1A1CYP3A4AOC3L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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