SCHEMBL23831779

SCHEMBL23831779

O=C(Nc1cc(Cl)cc(OC(F)(F)F)c1)Nc1cccc(Br)c1CO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.43
EPHX2 P34913 2/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.41
IGF1R P08069 1/20 0.41
KDR P35968 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DHODH Q02127 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
P2RX1 P51575 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL23831995 0.89 KDR (0.46) P2RY1EPHX2CNR1IGF1RKDR
SCHEMBL23832031 0.89 HTT (0.44) P2RY1EPHX2HTTALDH1A1RAB9A
SCHEMBL30104985 0.89 KDR (0.46) P2RY1EPHX2CNR1IGF1RKDR
SCHEMBL27077609 0.88 HTT (0.43) P2RY1EPHX2HTTALDH1A1RAB9A
SCHEMBL23831609 0.88 EPHX2 (0.46) P2RY1EPHX2CNR1IGF1RKDR
SCHEMBL27077625 0.87 HTT (0.54) EPHX2HTTALDH1A1RAB9AKDR
SCHEMBL30104999 0.87 HTT (0.42) P2RY1EPHX2HTTALDH1A1RAB9A
SCHEMBL23832055 0.87 HTT (0.42) P2RY1EPHX2HTTALDH1A1RAB9A
SCHEMBL30104943 0.86 EPHX2 (0.43) P2RY1EPHX2HTTCNR1IGF1R
SCHEMBL23831753 0.86 EPHX2 (0.43) P2RY1EPHX2HTTCNR1IGF1R

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 3 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
WO-2021185391-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2021-09-23 WO disclosed