SCHEMBL9851341

SCHEMBL9851341

Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CCC2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
KDM4E B2RXH2 9/20 0.62
LMNA P02545 7/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
HPGD P15428 5/20 0.57
GAA P10253 4/20 0.57
MEN1 O00255 2/20 0.54
ACHE P22303 6/20 0.51
BCHE P06276 5/20 0.51
TSHR P16473 4/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CACNB4 O00305 1/20 0.51
CACNA1A O00555 1/20 0.51
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
ABCC4 O15439 1/20 0.51
CACNA1G O43497 1/20 0.51

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
SCHEMBL4491778 0.96 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL9851357 0.95 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL1110808 0.92 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL9851342 0.85 KMT2A (0.62) ALDH1A1KDM4ELMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL5579198 0.84 KDM4E (0.85) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL9851398 0.84 ACHE (0.52) ALDH1A1KDM4ELMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL9851361 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL9851346 0.81 KMT2A (0.60) ALDH1A1KDM4ELMNAKMT2AMAPT
SCHEMBL9851340 0.81 KMT2A (0.59) ALDH1A1KDM4ELMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL5578403 0.80 KDM4E (0.55) ALDH1A1KDM4ELMNAKMT2AMAPT

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 disclosed