SCHEMBL30105110

SCHEMBL30105110

O=C(Nc1cc(Br)cc(OC(F)(F)F)c1)Nc1cccc(Cl)c1CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.51
KDR P35968 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
XBP1 P17861 1/20 0.41
CNR1 P21554 1/20 0.41
P2RY1 P47900 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
IGF1R P08069 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.40
PTGER3 P43115 2/20 0.39

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
SCHEMBL23831822 1.00 TRPV1 (0.51) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23831756 0.93 KDR (0.45) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL30105305 0.93 KDR (0.45) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL30104981 0.90 TRPV1 (0.53) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23831651 0.90 TRPV1 (0.53) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23831752 0.89 TRPV1 (0.52) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL30104912 0.88 TRPV1 (0.51) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23831810 0.88 TRPV1 (0.51) TRPV1KDRMEN1KMT2AMAPT
SCHEMBL23832113 0.88 TRPV1 (0.50) TRPV1MEN1KMT2AMAPTLMNA
SCHEMBL30105103 0.88 TRPV1 (0.50) TRPV1MEN1KMT2AMAPTLMNA

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