SCHEMBL3905856

SCHEMBL3905856

O=CCc1ccnc(-c2ccc(F)c(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.47
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP17A1 P05093 1/20 0.45
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
TOP1 P11387 1/20 0.37
WNT3A P56704 1/20 0.37
NOTUM Q6P988 1/20 0.37
MAOB P27338 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRM2 Q14416 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 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
SCHEMBL6519408 0.85 IDO1 (0.45) MAPK1LOXL2WNT3A
SCHEMBL17981871 0.83 LOXL2 (0.45) RAB9AKDM4ELOXL2MEN1KMT2A
SCHEMBL4120500 0.82 CYP11B1 (0.46) KMOCYP11B1CYP11B2CYP17A1ALDH1A1
SCHEMBL3904494 0.81 CYP11B1 (0.45) KMOCYP11B1CYP11B2CYP17A1ALDH1A1
SCHEMBL28199583 0.78 KMO (0.44) KMOCYP11B1CYP11B2CYP17A1ALDH1A1
SCHEMBL896163 0.74 HTT (0.42) CYP11B1CYP11B2CYP17A1ALDH1A1MAOB
SCHEMBL3907212 0.74 NPC1 (0.46) CYP11B1CYP11B2RAB9AMAPK1NPC1
SCHEMBL1437182 0.73 LOXL2 (0.59) LOXL2
SCHEMBL2666352 0.73 CCR1 (0.57) KMOCYP11B1CYP11B2ALDH1A1RAB9A
SCHEMBL3914608 0.72 KMO (0.42) KMOCYP11B1CYP11B2CYP17A1ALDH1A1

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed