SCHEMBL30862004

SCHEMBL30862004

COC(=O)c1ccc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)nn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.43
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
RAB9A P51151 3/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 3/20 0.41
F10 P00742 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VNN1 O95497 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL21384215 1.00 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL21394644 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL21384159 0.88 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL21394920 0.88 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL21395174 0.88 HCAR2 (0.46) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL21384039 0.85 LMNA (0.47) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL21394749 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL29357039 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL21394703 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ARAB9A
SCHEMBL21394767 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ARAB9A

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-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed