SCHEMBL1740392

SCHEMBL1740392

O=C(O)N(c1ccc(OCc2ccccc2)cc1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALOX5 P09917 4/20 0.51
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
S1PR5 Q9H228 1/20 0.51
NOX1 Q9Y5S8 2/20 0.50
MAOB P27338 1/20 0.50
PARP10 Q53GL7 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL11888837 0.88 RXRA (0.56) SMN1; SMN2NPC1RAB9AMAOBLMNA
SCHEMBL28018068 0.86 FFAR1 (0.56) MAOBPARP10FFAR1FFAR4
SCHEMBL20477163 0.79 RAB9A (0.46) KDM4ESMN1; SMN2NPC1RAB9AS1PR5
SCHEMBL28010585 0.78 KDM1A (0.56) SMN1; SMN2NPC1RAB9AMAOBCHRM2
SCHEMBL14975421 0.77 ALOX5 (0.48) NR4A1NR4A2NR4A3ALOX5PTGS1
SCHEMBL8935257 0.75 ALOX5 (0.52) KDM4EKMT2ASMN1; SMN2NR4A1NR4A2
SCHEMBL2362048 0.75 NPC1 (0.45) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28017518 0.74 CHRM2 (0.50) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8935254 0.74 ALOX5 (0.54) KDM4EKMT2ASMN1; SMN2NR4A1NR4A2
SCHEMBL5702266 0.74 L3MBTL1 (0.63) NR4A1NR4A2NR4A3ALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947265-B Methionin specific demethylase-1 inhibitor and application thereof ORYZON GENOMICS, S.A. (ES) 2015-07-29 CN disclosed
EP-2389362-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE Oryzon Genomics, S.A. (ES) 2011-11-30 EP disclosed
US-20110252680-A1 Surface mounted frame arrangement ROSE DISPLAYS, LTD 2011-10-20 US disclosed
WO-2010084160-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2010-07-29 WO disclosed