SCHEMBL27583080

SCHEMBL27583080

O=C(Nc1cccc(Cl)c1)Nc1ncccn1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.74
▸ MEN1 O00255 10/20 0.74
▸ LMNA P02545 4/20 0.74
▸ MAPT P10636 4/20 0.74
▸ HTT P42858 2/20 0.74
▸ ALDH1A1 P00352 2/20 0.74
▸ KDR P35968 1/20 0.69
▸ RAB9A P51151 7/20 0.68
▸ NPC1 O15118 6/20 0.68
▸ POLB P06746 2/20 0.67
▸ GRM4 Q14833 1/20 0.63
▸ HDAC6 Q9UBN7 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ GAA P10253 1/20 0.56

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
SCHEMBL2682054 0.86 KMT2A (1.00) KMT2AMEN1LMNAMAPTHTT
SCHEMBL9410880 0.83 MEN1 (0.72) KMT2AMEN1LMNAMAPTHTT
SCHEMBL28752131 0.81 RAB9A (0.69) KMT2AMEN1LMNAMAPTHTT
SCHEMBL10344695 0.81 MEN1 (1.00) KMT2AMEN1LMNAMAPTHTT
SCHEMBL29556162 0.81 MEN1 (0.89) KMT2AMEN1LMNAMAPTHTT
SCHEMBL29077780 0.81 MEN1 (0.89) KMT2AMEN1LMNAMAPTHTT
SCHEMBL29533340 0.81 MEN1 (1.00) KMT2AMEN1LMNAMAPTHTT
SCHEMBL29555820 0.80 KMT2A (0.68) KMT2AMEN1LMNAMAPTHTT
SCHEMBL29556199 0.80 KMT2A (0.68) KMT2AMEN1LMNAMAPTHTT
SCHEMBL11049956 0.80 MEN1 (0.85) KMT2AMEN1LMNAMAPTHTT

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-1478772-A Synthesis method of -N-phenyl-N'-pyridyl substituted carbamide derivative 中国科学院大连化学物理研究所 2004-03-03 — — CN disclosed
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