SCHEMBL3904040

SCHEMBL3904040

Fc1c(Cl)cccc1NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPK14 Q16539 1/20 0.46
PKM P14618 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
MAPK1 P28482 1/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NSD2 O96028 1/20 0.42
HSP90AA1 P07900 1/20 0.42
G6PD P11413 1/20 0.42
CCR6 P51684 1/20 0.42
HKDC1 Q2TB90 1/20 0.42

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
SCHEMBL3907119 0.84 L3MBTL1 (0.53) L3MBTL1MAPK14PKMTAAR1MAPK1
SCHEMBL3910980 0.77 L3MBTL1 (0.59) L3MBTL1PKMTAAR1NPC1RAB9A
SCHEMBL9837512 0.76 PBRM1 (0.54) MAPK14PKMTAAR1MAPK1PTPN7
SCHEMBL3711850 0.75 L3MBTL1 (0.49) L3MBTL1PKMTAAR1NPC1RAB9A
SCHEMBL22131082 0.73 ALDH1A1 (0.38) L3MBTL1PKMMAPK1MAPTSMN1; SMN2
SCHEMBL381570 0.71 ALDH1A1 (0.47) MAPTMEN1KMT2AKDM4E
SCHEMBL7504935 0.71 SMN1; SMN2 (0.63) MAPK14MAPK1RAB9ACCNCCDK8
SCHEMBL11585442 0.70 CA12 (0.62) L3MBTL1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL7502949 0.70 NR4A2 (0.50) MAPK14PKMRAB9ACCNCCDK8
SCHEMBL8150179 0.70 MAPT (0.58) L3MBTL1PKMMAPK1NPC1RAB9A

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