SCHEMBL31433117

SCHEMBL31433117

c1ccc(-c2cc3n(n2)C(c2ccco2)CCN3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ATM Q13315 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCB1 P08183 1/20 0.36
CHRM5 P08912 6/20 0.35
CHRM3 P20309 6/20 0.35
CHRM2 P08172 5/20 0.35
CHRM4 P08173 5/20 0.35

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
SCHEMBL31433148 0.82 BTK (0.38) MEN1KMT2AL3MBTL1MAOAMAOB
SCHEMBL31433126 0.79 BTK (0.44) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL31433055 0.78 ALDH1A1 (0.41) MEN1KMT2AL3MBTL1ATMMAPT
SCHEMBL31433149 0.77 MAOB (0.43) MEN1KMT2AMAOAMAOBMAPT
SCHEMBL31433152 0.77 MAOA (0.44) MEN1KMT2AMAOAMAOBMAPT
SCHEMBL31433109 0.77 EGFR (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL31433058 0.76 EGFR (0.46)
SCHEMBL31433081 0.76 GAA (0.38) MEN1KMT2AL3MBTL1ATMMAPT
SCHEMBL24828101 0.75 NSD3 (0.39) KMT2AL3MBTL1MAPTKDM4EPKM
SCHEMBL31433153 0.74 NPC1 (0.39) MEN1KMT2AMAOAMAOBMAPT

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-119638701-A Method for asymmetric hydrogenation of pyrazolopyrimidine polyazo aromatic compound by manganese catalysis 中国科学院大连化学物理研究所 2025-03-18 CN disclosed