SCHEMBL30105049

SCHEMBL30105049

O=C(Nc1cc(Cl)cc(NCCO)c1)Nc1cccc(Cl)c1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
KDR P35968 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
LMNA P02545 5/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL23832103 1.00 DHODH (0.45) DHODHKDRTRPV1LMNARAB9A
SCHEMBL23831750 0.92 TRPV1 (0.53) DHODHKDRTRPV1LMNARAB9A
SCHEMBL30105185 0.92 TRPV1 (0.53) DHODHKDRTRPV1LMNARAB9A
SCHEMBL30104958 0.92 KDR (0.44) KDRTRPV1LMNARAB9ANPC1
SCHEMBL23831591 0.92 KDR (0.44) KDRTRPV1LMNARAB9ANPC1
SCHEMBL23831722 0.91 CNR1 (0.44) DHODHKDRTRPV1LMNARAB9A
SCHEMBL30105229 0.91 CNR1 (0.44) DHODHKDRTRPV1LMNARAB9A
SCHEMBL23831897 0.91 MEN1 (0.48) KDRTRPV1LMNARAB9ANPC1
SCHEMBL30104988 0.91 MEN1 (0.48) KDRTRPV1LMNARAB9ANPC1
SCHEMBL30105014 0.89 CNR1 (0.45) DHODHTRPV1LMNARAB9ANPC1

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
EP-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed