SCHEMBL1726902

SCHEMBL1726902

c1cc(NC2CCCCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.56
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
S1PR1 P21453 1/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
APAF1 O14727 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
AOC1 P19801 3/20 0.46
AOC3 Q16853 3/20 0.46
CSF1R P07333 2/20 0.45
ROCK1 Q13464 2/20 0.45
CDC7 O00311 1/20 0.45

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
SCHEMBL11498081 1.00 EPHX1 (0.56) EPHX1KDM4EGAAS1PR1MAPT
SCHEMBL25451316 1.00 EPHX1 (0.56) EPHX1KDM4EGAAS1PR1MAPT
Water SCHEMBL11247605 0.98 EPHX1 (0.54) EPHX1KDM4EGAAS1PR1MAPT
SCHEMBL11175342 0.98 EPHX1 (0.53) EPHX1KDM4EGAAS1PR1MAPT
SCHEMBL11169098 0.93 EPHX1 (0.49) EPHX1KDM4EGAAS1PR1MAPT
SCHEMBL10372739 0.89 CTSD (0.48) EPHX1GAAS1PR1MAPTKMT2A
SCHEMBL3400048 0.84 MAPT (0.61) EPHX1KDM4EGAAMAPTMEN1
SCHEMBL78145 0.84 MAPT (0.61) EPHX1KDM4EGAAMAPTMEN1
SCHEMBL11526941 0.84 MAPT (0.61) EPHX1KDM4EGAAMAPTMEN1
SCHEMBL8613430 0.82 KDM4E (0.50) EPHX1KDM4ES1PR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8113564-A None JP disclosed
WO-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed
EP-1947098-B1 CYCLIC AMINE COMPOUNDS AND PEST CONTROL AGENT NIPPON SODA CO (JP) 2011-11-30 EP disclosed
JP-H08113564-A 4-CYCLOHEXYLAMINOPYRIDINE DERIVATIVE, ITS PRODUCTION AND AGRICULTURAL AND HORTICULTURAL HARMFUL ORGANISM CONTROLLER UBE IND LTD 1996-05-07 JP disclosed
US-4390710-A A 4-AMINOPYRIDINE WITH A PYRIDINE PPG INDUSTRIES, INC. (US) 1983-06-28 US disclosed
US-4206215-A Antimicrobial bis-[4-(substituted-amino)-1-pyridinium]alkanes STERLING DRUG INC. (US) 1980-06-03 US disclosed
US-4067741-A Hardening photographic layers containing silver halide with a 1-sulphonyl-4-amino-pyridinium salt AGFA-GEVAERT, A.G. (DT) 1978-01-10 US disclosed