SCHEMBL30105076

SCHEMBL30105076

O=C(Nc1ccnc(F)c1)Nc1cccc(F)c1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
RAB9A P51151 11/20 0.42
NPC1 O15118 9/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
POLB P06746 4/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPT P10636 4/20 0.41
CDK8 P49336 1/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RIPK2 O43353 1/20 0.40
PKM P14618 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
SCHEMBL23831850 1.00 CA12 (0.43) CA12CA1CA2CA9RAB9A
SCHEMBL30792378 0.88 RAB9A (0.42) CA12CA1CA2CA9RAB9A
SCHEMBL30105041 0.88 MEN1 (0.48) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL30105143 0.88 RAB9A (0.44) CA12CA1CA2CA9RAB9A
SCHEMBL23832086 0.88 RAB9A (0.44) CA12CA1CA2CA9RAB9A
SCHEMBL23831636 0.88 MEN1 (0.48) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL23831824 0.88 RAB9A (0.42) CA12CA1CA2CA9RAB9A
SCHEMBL23831628 0.88 SMARCA2 (0.54) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL30105266 0.88 SMARCA2 (0.54) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL23831829 0.86 RAB9A (0.45) CA12CA1CA2CA9RAB9A

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