SCHEMBL9851387

SCHEMBL9851387

Nc1c2c(nc3ccccc13)N(C(=O)c1ccccc1)CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 8/20 0.53
LMNA P02545 5/20 0.53
HPGD P15428 5/20 0.53
GAA P10253 4/20 0.53
TSHR P16473 7/20 0.53
HSD17B10 Q99714 6/20 0.49
MAPT P10636 4/20 0.49
GLA P06280 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
TP53 P04637 1/20 0.49
ACHE P22303 7/20 0.48
BCHE P06276 6/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CACNB4 O00305 1/20 0.48
CACNA1A O00555 1/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48

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
SCHEMBL9851381 0.78 KDM4E (0.50) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL9851341 0.73 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL5045645 0.72 KDM4E (0.66) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL18997607 0.70 KRAS (0.50) KDM4EALDH1A1LMNATSHRMAPT
SCHEMBL5047155 0.70 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDGAA
SCHEMBL4491778 0.69 ALDH1A1 (0.61) KDM4EALDH1A1LMNAHPGDGAA
Hydrochloric Acid SCHEMBL9851357 0.68 ALDH1A1 (0.60) KDM4EALDH1A1LMNAHPGDGAA
Tacrine SCHEMBL7998486 0.68 ACHE (0.82) KDM4EALDH1A1LMNATSHRHSD17B10
Tacrine SCHEMBL8003897 0.68 ACHE (0.82) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL9550534 0.67 BCHE (0.65) KDM4EALDH1A1LMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP claimed