SCHEMBL23831775

SCHEMBL23831775

O=C(Nc1cccc(OC(F)(F)F)c1)Nc1cccc(Cl)c1CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
P2RX1 P51575 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGER3 P43115 1/20 0.48
EPHX2 P34913 1/20 0.48
TRPV1 Q8NER1 2/20 0.47
CNR1 P21554 1/20 0.47
BRAF P15056 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
XBP1 P17861 1/20 0.45

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
SCHEMBL30104945 1.00 KDR (0.51) KDRP2RX1CYP1A2CYP2C9CYP2C19
SCHEMBL23831820 0.92 TRPV1 (0.57) KDRP2RX1CYP1A2CYP2C9CYP2C19
SCHEMBL30104985 0.89 KDR (0.46) KDRP2RX1EPHX2TRPV1CNR1
SCHEMBL30105002 0.89 P2RX1 (0.51) KDRP2RX1EPHX2CNR1MAPT
SCHEMBL23831995 0.89 KDR (0.46) KDRP2RX1EPHX2TRPV1CNR1
SCHEMBL23831568 0.89 P2RX1 (0.51) KDRP2RX1EPHX2CNR1MAPT
SCHEMBL30105016 0.88 KDR (0.46) KDRCYP1A2CYP2C9CYP2C19PTGER3
SCHEMBL23832107 0.88 KDR (0.46) KDRCYP1A2CYP2C9CYP2C19PTGER3
SCHEMBL23831680 0.87 EPHX2 (0.49) KDRP2RX1CYP1A2CYP2C9CYP2C19
SCHEMBL30105250 0.87 EPHX2 (0.49) KDRP2RX1CYP1A2CYP2C9CYP2C19

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