SCHEMBL30105014

SCHEMBL30105014

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
DHODH Q02127 1/20 0.44
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
TRPV1 Q8NER1 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 2/20 0.41
NPC1 O15118 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
SCHEMBL27077624 1.00 CNR1 (0.45) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL23831981 0.92 CNR1 (0.44) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL30105245 0.92 CNR1 (0.44) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL30105236 0.91 RAB9A (0.44) CNR1MEN1KMT2AMAPTALDH1A1
SCHEMBL23831668 0.91 RAB9A (0.44) CNR1MEN1KMT2AMAPTALDH1A1
SCHEMBL30105254 0.90 DHODH (0.53) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL23831818 0.90 DHODH (0.53) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL23832103 0.89 DHODH (0.45) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL30105049 0.89 DHODH (0.45) CNR1DHODHMEN1KMT2AMAPT
SCHEMBL23831745 0.88 RAB9A (0.46) CNR1MEN1KMT2AMAPTALDH1A1

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