SCHEMBL29555845

SCHEMBL29555845

COc1cc(Cl)cc(NC(=O)Nc2ccnc(Br)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ AR P10275 1/20 0.48
▸ PDGFRA P16234 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ MAPT P10636 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMARCA2 P51531 2/20 0.45
▸ SMARCA4 P51532 2/20 0.45
▸ IDH1 O75874 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ VSIG8 P0DPA2 1/20 0.43

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
SCHEMBL29556246 0.87 SMARCA2 (0.60) ALDH1A1PDGFRAKDRCNR1RAB9A
SCHEMBL29556113 0.87 P2RY1 (0.55) ALDH1A1ARCNR1RAB9ANPC1
SCHEMBL29556191 0.85 MAPT (0.51) ALDH1A1PDGFRAKDRCNR1RAB9A
SCHEMBL29555865 0.84 HDAC3 (0.49) ARKDRRAB9ANPC1MEN1
SCHEMBL29556614 0.83 ALDH1A1 (0.71) ALDH1A1PDGFRARAB9ANPC1MAPT
SCHEMBL29555889 0.81 MAPT (0.56) CNR1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29556206 0.81 MEN1 (0.50) ALDH1A1ARCNR1RAB9ANPC1
SCHEMBL29555952 0.80 CNR1 (0.60) ALDH1A1PDGFRAKDRCNR1RAB9A
SCHEMBL29556385 0.80 RAB9A (0.46) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29555881 0.80 RAB9A (0.46) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2

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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