SCHEMBL9851386

SCHEMBL9851386

Nc1c2c(nc3ccc([N+](=O)[O-])cc13)N(Cc1ccccc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 3/20 0.67
ACHE P22303 3/20 0.54
MEN1 O00255 4/20 0.52
MITF O75030 1/20 0.45
ALPG P10696 1/20 0.45
DHFR P00374 2/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL9851340 0.94 KMT2A (0.59) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL5578267 0.81 KDM4E (1.00) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL1110808 0.80 ALDH1A1 (0.73) KMT2AKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5578263 0.80 KDM4E (0.73) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL5578136 0.77 KDM4E (0.69) KMT2AKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5578271 0.74 KDM4E (0.64) KMT2AKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5579198 0.73 KDM4E (0.85) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL9851341 0.73 ALDH1A1 (0.62) KMT2AKDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL5578411 0.72 KDM4E (0.61) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL4491778 0.72 ALDH1A1 (0.61) 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 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