SCHEMBL30105016

SCHEMBL30105016

O=C(Nc1cc(F)cc(OC(F)(F)F)c1)Nc1cccc(Cl)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
TRPV1 Q8NER1 3/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
XBP1 P17861 1/20 0.43
PTGER3 P43115 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
P2RY1 P47900 3/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
IGF1R P08069 1/20 0.41
EPHX2 P34913 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.41
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL23832107 1.00 KDR (0.46) KDRTRPV1MEN1KMT2AMAPT
SCHEMBL23831752 0.93 TRPV1 (0.52) KDRTRPV1MEN1KMT2AMAPT
SCHEMBL30104985 0.90 KDR (0.46) KDRTRPV1MEN1KMT2AMAPT
SCHEMBL23831995 0.90 KDR (0.46) KDRTRPV1MEN1KMT2AMAPT
SCHEMBL30104962 0.89 HTT (0.43) MEN1KMT2AMAPTPTGER3CYP1A2
SCHEMBL23831874 0.89 HTT (0.43) MEN1KMT2AMAPTPTGER3CYP1A2
SCHEMBL30105305 0.88 KDR (0.45) KDRTRPV1MEN1KMT2AMAPT
SCHEMBL23831756 0.88 KDR (0.45) KDRTRPV1MEN1KMT2AMAPT
SCHEMBL23831775 0.88 KDR (0.51) KDRTRPV1MEN1KMT2AMAPT
SCHEMBL30104945 0.88 KDR (0.51) KDRTRPV1MEN1KMT2AMAPT

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