SCHEMBL30104995

SCHEMBL30104995

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 6/20 0.40
MAPT P10636 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CNR1 P21554 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
IDH2 P48735 1/20 0.34

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
SCHEMBL23831633 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23832061 0.96 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30105084 0.96 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23832018 0.90 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30105252 0.90 MEN1 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23831623 0.90 MEN1 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30105061 0.89 NPC1 (0.37) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23831860 0.89 NPC1 (0.37) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL23831685 0.88 NPC1 (0.36) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL30104964 0.88 NPC1 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121415-B1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2024-02-07 EP disclosed
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