SCHEMBL7332087

SCHEMBL7332087

CC1OC1Oc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
ACHE P22303 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.32
TYR P14679 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SOS1 Q07889 1/20 0.31

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
SCHEMBL10945428 0.89 LMNA (0.39) LMNASMN1; SMN2KDM4EALDH1A1TYR
SCHEMBL11303274 0.80 CA1 (0.50) NPC1RAB9AKDM4EACHEALDH1A1
SCHEMBL2020487 0.78 TDP1 (0.44) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL2020485 0.78 TDP1 (0.44) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL6258179 0.78 CA1 (0.39) MAOB
SCHEMBL8551056 0.78 SOS1 (0.35) MAOAMAOBSOS1
SCHEMBL7752555 0.77 CA4 (0.40) LMNASMN1; SMN2TDP1
SCHEMBL2282297 0.77 CA4 (0.40) LMNASMN1; SMN2TDP1
SCHEMBL7154266 0.76 SLC6A2 (0.45) NFE2L2NPC1RAB9AACHEMAOB
SCHEMBL10364397 0.76 SLC6A2 (0.45) NFE2L2NPC1RAB9AACHEMAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076647-A2 ANTIPSYCHOTIC INDOLYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP disclosed
WO-1999055672-A2 ANTIPSYCHOTIC INDOLYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO disclosed
EP-0842174-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1998-05-20 EP disclosed
WO-1997005134-A1 HETEROCYCLIC COMPOUNDS FOR TREATING MYOCARDIAL ISCHAEMIA PIERRE FABRE MEDICAMENT (FR) 1997-02-13 WO disclosed
WO-1993025528-A1 NOVEL AMINOPROPANOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1993-12-23 WO disclosed