SCHEMBL31206219

SCHEMBL31206219

O=C(Nc1cccc(Cl)c1)Nc1ccccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.72
KMT2A Q03164 7/20 0.72
MAPT P10636 4/20 0.72
LMNA P02545 2/20 0.72
HTT P42858 2/20 0.72
ALDH1A1 P00352 2/20 0.72
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
KDM4E B2RXH2 3/20 0.69
GAA P10253 2/20 0.68
POLB P06746 1/20 0.68
ALOX15 P16050 1/20 0.66
HSD17B10 Q99714 1/20 0.66
CA12 O43570 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA9 Q16790 2/20 0.65
TRPV1 Q8NER1 1/20 0.63
FADS1 O60427 1/20 0.61
GRIK1 P39086 2/20 0.61

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
SCHEMBL1877777 1.00 MEN1 (0.72) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4301183 0.90 KMT2A (0.82) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6227431 0.86 MEN1 (0.74) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2682054 0.85 KMT2A (1.00) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29533340 0.83 MEN1 (1.00) MEN1KMT2AMAPTLMNAHTT
SCHEMBL10344695 0.83 MEN1 (1.00) MEN1KMT2AMAPTLMNAHTT
SCHEMBL13666033 0.83 MEN1 (0.70) MEN1KMT2AMAPTLMNAHTT
SCHEMBL17079616 0.83 DDX3X (0.79) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6227015 0.83 MEN1 (0.71) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6436269 0.82 MEN1 (0.72) MEN1KMT2AMAPTLMNAHTT

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-113271941-B Urea derivatives for the treatment and/or prophylaxis of cancer 法国国家科学研究中心 2024-09-20 CN disclosed