SCHEMBL9851340

SCHEMBL9851340

Nc1c2c(nc3ccc([N+](=O)[O-])cc13)N(Cc1ccccc1)CCC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
ACHE P22303 8/20 0.57
MEN1 O00255 1/20 0.48
APP P05067 1/20 0.43
BCHE P06276 1/20 0.43
DHFR P00374 2/20 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
SCHEMBL9851386 0.94 KMT2A (0.67) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL9851341 0.81 ALDH1A1 (0.62) KMT2AKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5579198 0.81 KDM4E (0.85) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL4491778 0.77 ALDH1A1 (0.61) KMT2AKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL9851357 0.76 ALDH1A1 (0.60) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL5578267 0.74 KDM4E (1.00) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL5988415 0.74 ACHE (1.00) ACHEAPPBCHE
Hydrochloric Acid SCHEMBL5578263 0.73 KDM4E (0.73) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL1110808 0.73 ALDH1A1 (0.73) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL9851342 0.73 KMT2A (0.62) KMT2AKDM4EALDH1A1LMNAMAPT

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