SCHEMBL10539641

SCHEMBL10539641

NCC(=O)NCC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
KDM4E B2RXH2 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 1/20 0.63
HIF1A Q16665 1/20 0.63
MAPT P10636 5/20 0.62
POLB P06746 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TERT O14746 1/20 0.61
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 3/20 0.54
LMNA P02545 3/20 0.54
PKM P14618 1/20 0.50
HPGD P15428 3/20 0.49
HTT P42858 1/20 0.49
CA9 Q16790 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
SCHEMBL1913977 0.89 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AKDM4ECYP1A2
Hydrochloric Acid SCHEMBL4188904 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL3096584 0.81 CYP1A2 (0.73) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11573347 0.80 TERT (0.58) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL9291930 0.78 MEN1 (1.00) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11710607 0.77 MAPT (0.74) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL521958 0.77 MAPT (1.00) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11710601 0.77 MEN1 (0.74) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL10602228 0.77 HDAC1 (0.49) MEN1KMT2AMAPTL3MBTL1RAB9A
SCHEMBL9489155 0.76 SMN1; SMN2 (0.60) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4874695-A COLORIMETRIC ANALYSIS AMERICAN HOME PRODUCTS CORP. (US) 1989-10-17 US claimed
US-4874695-A COLORIMETRIC ANALYSIS AMERICAN HOME PRODUCTS CORP. (US) 1989-10-17 US disclosed
EP-0165905-B1 DIAGNOSTIC ASSAY METHOD FOR THE DETECTION OF ORAL PATHOGENIC BACTERIA MIXTURES THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1989-03-08 EP disclosed