SCHEMBL1828646

SCHEMBL1828646

CC(O)(I)C(N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
EPHX1 P07099 1/20 0.48
CYP2D6 P10635 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
LAP3 P28838 3/20 0.43

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
SCHEMBL1153493 0.84 KDM4E (0.61) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL8540631 0.84 KDM4E (0.61) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1153491 0.84 KDM4E (0.61) KDM4ELMNAMAPK1SLC6A2TAAR1
Hydrochloric Acid SCHEMBL4524323 0.82 KDM4E (0.59) KDM4ELMNAMAPK1SLC6A2TAAR1
Water SCHEMBL11513174 0.82 KDM4E (0.59) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1234677 0.81 KDM4E (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL3843513 0.79 SLC6A2 (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL10253191 0.79 SLC6A2 (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL5675489 0.79 KDM4E (0.66) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL14038762 0.79 SLC6A2 (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1

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-2318126-A2 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-05-11 EP disclosed
WO-2010006196-A2 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-14 WO disclosed