SCHEMBL31206271

SCHEMBL31206271

O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.74
MAPT P10636 8/20 0.74
MEN1 O00255 8/20 0.74
LMNA P02545 4/20 0.74
HTT P42858 4/20 0.74
ALDH1A1 P00352 2/20 0.74
RAB9A P51151 6/20 0.71
NPC1 O15118 5/20 0.71
ATM Q13315 1/20 0.71
GRIK1 P39086 1/20 0.67
KDM4E B2RXH2 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL21858396 1.00 KMT2A (0.74) KMT2AMAPTMEN1LMNAHTT
SCHEMBL6227431 0.87 MEN1 (0.74) KMT2AMAPTMEN1LMNAHTT
SCHEMBL6066774 0.87 NPC1 (0.75) KMT2AMAPTMEN1LMNAHTT
SCHEMBL2682054 0.86 KMT2A (1.00) KMT2AMAPTMEN1LMNAHTT
SCHEMBL5471126 0.86 RAB9A (0.65) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL4548129 0.85 MAPT (0.66) KMT2AMAPTMEN1LMNAHTT
SCHEMBL31206327 0.85 MAPT (0.66) KMT2AMAPTMEN1LMNAHTT
SCHEMBL4301183 0.85 KMT2A (0.82) KMT2AMAPTMEN1LMNAHTT
SCHEMBL14459439 0.84 KDR (0.76) KMT2AMAPTMEN1LMNAHTT
SCHEMBL12396048 0.83 TRPV1 (0.73) KMT2AMAPTMEN1LMNAHTT

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