SCHEMBL29556199

SCHEMBL29556199

O=C(Nc1cccc(Cl)c1)Nc1ccnc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 0.68
▸ MEN1 O00255 11/20 0.68
▸ LMNA P02545 6/20 0.68
▸ MAPT P10636 5/20 0.68
▸ HTT P42858 4/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ RAB9A P51151 8/20 0.66
▸ NPC1 O15118 7/20 0.62
▸ POLB P06746 2/20 0.62
▸ KDR P35968 1/20 0.60
▸ GRM4 Q14833 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ GAA P10253 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL9410880 0.85 MEN1 (0.72) KMT2AMEN1LMNAMAPTHTT
SCHEMBL29556176 0.85 RAB9A (0.65) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL29556163 0.85 KMT2A (0.72) KMT2AMEN1LMNAMAPTHTT
SCHEMBL30318910 0.84 TAAR1 (0.61) KMT2AMEN1LMNAMAPTHTT
SCHEMBL10344917 0.84 TAAR1 (0.61) KMT2AMEN1LMNAMAPTHTT
SCHEMBL29556285 0.84 MEN1 (0.52) KMT2AMEN1LMNAMAPTHTT
SCHEMBL22125175 0.83 SMARCA2 (0.71) KMT2AMEN1LMNAMAPT
SCHEMBL29555820 0.82 KMT2A (0.68) KMT2AMEN1LMNAMAPTHTT
SCHEMBL2682054 0.82 KMT2A (1.00) KMT2AMEN1LMNAMAPTHTT
SCHEMBL27583080 0.80 KMT2A (0.74) 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
WO-2022078533-A1 SUBSTITUTED 1,3-DIPHENYLUREA DERIVATIVES AND 1-PHENYL-3-PYRIDYLUREA DERIVATIVES FOR PLANT BIOTECHNOLOGY, PREPARATIONS CONTAINING THESE COMPOUNDS AND USE THEREOF USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2022-04-21 — — WO disclosed
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