SCHEMBL30105347

SCHEMBL30105347

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
P2RY1 P47900 6/20 0.40
HTT P42858 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGER3 P43115 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL23831878 1.00 EPHX2 (0.40) EPHX2P2RY1HTTTRPV1NPC1
SCHEMBL23831992 0.93 EPHX2 (0.40) EPHX2P2RY1HTTNPC1POLB
SCHEMBL30105204 0.93 EPHX2 (0.40) EPHX2P2RY1HTTNPC1POLB
SCHEMBL30105311 0.89 KDR (0.44) EPHX2P2RY1TRPV1NPC1RAB9A
SCHEMBL23831767 0.89 KDR (0.44) EPHX2P2RY1TRPV1NPC1RAB9A
SCHEMBL30104999 0.89 HTT (0.42) EPHX2P2RY1HTTTRPV1RAB9A
SCHEMBL23832055 0.89 HTT (0.42) EPHX2P2RY1HTTTRPV1RAB9A
SCHEMBL23831874 0.88 HTT (0.43) EPHX2P2RY1HTTNPC1POLB
SCHEMBL30104962 0.88 HTT (0.43) EPHX2P2RY1HTTNPC1POLB
SCHEMBL23831951 0.87 RAB9A (0.49) HTTNPC1RAB9ASMN1; SMN2CYP1A2

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