SCHEMBL30105061

SCHEMBL30105061

O=C(Nc1cc(Br)cc(NCCO)c1)Nc1cc(F)cc(F)c1CO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.37
RAB9A P51151 8/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
LMNA P02545 4/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
HTT P42858 6/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 1/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL23831860 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23831958 0.93 CNR1 (0.40) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30105113 0.93 CNR1 (0.40) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30104964 0.92 NPC1 (0.36) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23831685 0.92 NPC1 (0.36) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23832061 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30105084 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23831633 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30104995 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23831669 0.88 CNR1 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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