SCHEMBL30105029

SCHEMBL30105029

O=C(Nc1ccnc(F)c1)Nc1cc(Cl)ccc1CO

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GRIK1 P39086 7/20 0.46
TRPV1 Q8NER1 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMARCA2 P51531 4/20 0.43
SMARCA4 P51532 3/20 0.43
CNR1 P21554 1/20 0.43
BRAF P15056 1/20 0.41
KDR P35968 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
SCHEMBL23832115 1.00 MEN1 (0.49) MEN1KMT2AGRIK1TRPV1KCNH2
SCHEMBL30105107 0.91 MEN1 (0.47) MEN1KMT2AGRIK1TRPV1KCNH2
SCHEMBL23831737 0.91 MEN1 (0.47) MEN1KMT2AGRIK1TRPV1KCNH2
SCHEMBL30104987 0.88 SMARCA2 (0.58) MEN1KMT2AGRIK1TRPV1SMARCA2
SCHEMBL23831586 0.88 HTT (0.48) MEN1KMT2ATRPV1LMNAMAPT
SCHEMBL30105228 0.88 HTT (0.48) MEN1KMT2ATRPV1LMNAMAPT
SCHEMBL23831732 0.88 SMARCA2 (0.58) MEN1KMT2AGRIK1TRPV1SMARCA2
SCHEMBL23831798 0.86 MEN1 (0.49) MEN1KMT2AGRIK1TRPV1MAPT
SCHEMBL23832117 0.85 KMT2A (0.44) MEN1KMT2AGRIK1TRPV1KCNH2
SCHEMBL23831894 0.85 GRIK1 (0.52) MEN1KMT2AGRIK1TRPV1SMARCA2

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