SCHEMBL7625985

SCHEMBL7625985

N=C(NCl)NC(=N)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ALOX12 P18054 3/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 3/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
IDO1 P14902 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3071671 0.90 ALDH1A1 (0.56) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL1273847 0.82 ALDH1A1 (0.60) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL14868321 0.81 ALOX12 (0.47) ALDH1A1ALOX12HPGDGAAMAPT
Hydrochloric Acid SCHEMBL17186315 0.80 MAPT (0.48) ALDH1A1ALOX12HPGDGAAMAPT
Hydrochloric Acid SCHEMBL2246639 0.80 MAPT (0.48) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL1520136 0.79 GRIN2D (0.49) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL11815149 0.78 MAPK1 (0.49) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL3066246 0.78 ALDH1A1 (0.51) ALDH1A1ALOX12HPGDGAAKMT2A
Hydrochloric Acid SCHEMBL4465134 0.78 GRIN2D (0.47) ALDH1A1ALOX12HPGDGAAMAPT
SCHEMBL11699780 0.77 ALDH1A1 (0.44) ALDH1A1ALOX12HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023036-B1 DISINFECTING AGENT DDG DENTAL DEVICES GMBH (DE) 2002-01-09 EP claimed
WO-2023115158-A1 COATING COMPOSITIONS Silfresh Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2012119155-A1 ANTIMICROBIAL COMPOSITIONS FOR TOOTH FLUORIDATION AND REMINERALIZATION AMERICAN DENTAL ASSOCIATION FOUNDATION (US) 2012-09-07 WO disclosed
WO-1998004143-A2 A PROCESS FOR THE DECONTAMINATION OF MEATS THE DOW CHEMICAL COMPANY (US) 1998-02-05 WO disclosed
EP-0074082-B1 STABLE ORAL COMPOSITIONS CONTAINING ZINC AND FLUORIDE COMPOUNDS Richardson-Vicks, Inc. (US) 1987-10-21 EP disclosed