SCHEMBL29556206

SCHEMBL29556206

O=C(Nc1cc(F)cc(Cl)c1)Nc1ccnc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.50
▸ KMT2A Q03164 7/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ SMARCA2 P51531 4/20 0.47
▸ SMARCA4 P51532 3/20 0.47
▸ P2RY1 P47900 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ AR P10275 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29556113 0.90 P2RY1 (0.55) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL29556948 0.90 NPC1 (0.47) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL29555838 0.86 SMARCA2 (0.64) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL29556285 0.86 MEN1 (0.52) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL29556287 0.83 CNR1 (0.55) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL29555820 0.82 KMT2A (0.68) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL29555845 0.81 ALDH1A1 (0.49) MEN1KMT2ARAB9AMAPTSMARCA2
SCHEMBL29556187 0.79 MEN1 (0.61) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL29555610 0.79 MEN1 (0.61) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL10719644 0.79 SMARCA2 (0.69) MEN1KMT2ARAB9AMAPTLMNA

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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