SCHEMBL8668629

SCHEMBL8668629

CN(CCCl)c1[c]cccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.37
SLC22A3 O75751 1/20 0.37
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 2/20 0.30
BLM P54132 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
HBB P68871 1/20 0.30

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
SCHEMBL4722361 0.82 TP53 (0.33) TP53
SCHEMBL8667043 0.81 L3MBTL1 (0.36) MAPTHSD17B10HBB
SCHEMBL2290085 0.80 EGFR (0.33) SLC22A2SLC22A3EGFRERBB2
SCHEMBL2448855 0.79 MAPT (0.37) MAPTHTT
SCHEMBL8666555 0.78 MAPT (0.35) MAPTHTT
SCHEMBL8664336 0.78 DNM1 (0.38) MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL28236945 0.78 SIGMAR1 (0.36)
SCHEMBL700216 0.78
SCHEMBL3452063 0.77 DNM1 (0.41) CYP1A2CYP2D6CYP2C19
SCHEMBL8670477 0.77 DNM1 (0.41) CYP1A2CYP2D6CYP2C19

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
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed