SCHEMBL6563764

SCHEMBL6563764

COc1ccc(NNCl)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.38

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
Hydrochloric Acid SCHEMBL6542615 0.98 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27612556 0.84 MAPT (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16620674 0.79 MAPT (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL16229245 0.79 TUBB1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9290196 0.78 MAPT (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL836289 0.77 POLB (0.45) ALDH1A1MAPTKMT2AGAAHSD17B10
SCHEMBL10984450 0.77 GRM4 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL18952624 0.77 GAA (0.48) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL13532211 0.76 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3173764 0.74 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E

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
EP-1242389-B1 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2004-04-21 EP disclosed
EP-1242389-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2002-09-25 EP disclosed
WO-2001044207-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed