SCHEMBL11401724

SCHEMBL11401724

CC(=O)N(C)n1cc(-c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ MAT2A P31153 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ACLY P53396 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAP2 P11137 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KRAS P01116 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36

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
SCHEMBL11461065 0.84 HTT (0.46) KMT2AHTTL3MBTL1MEN1SMN1; SMN2
SCHEMBL11404527 0.75 ACLY (0.44) KMT2AMAT2AKDM4EACLYMAPT
Hydrochloric Acid SCHEMBL11452185 0.74 MAT2A (0.50) KMT2AMAT2AKDM4EACLYMAPT
Hydrochloric Acid SCHEMBL11452275 0.74 MAT2A (0.50) KMT2AMAT2AKDM4EACLYMAPT
SCHEMBL27870399 0.71 ALDH1A1 (0.47) KMT2AMAT2AKDM4EACLYMAPT
Ethyl Acetate SCHEMBL27410326 0.71 KMT2A (0.51) KMT2AKDM4EACLYMAPTHPGD
SCHEMBL11711011 0.70 KRAS (0.51) KMT2AKDM4EACLYMAPTL3MBTL1
SCHEMBL11403262 0.70 MAT2A (0.42) KMT2AMAT2AKDM4EACLYMAPT
SCHEMBL11454351 0.68 MAT2A (0.44) MAT2A
SCHEMBL24095575 0.67 HSD17B10 (0.69) KMT2AMAT2AKDM4EMAPTHPGD

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-0042054-A1 1-Amino-3-phenyl indoles, their salts and medicaments containing them SIEGFRIED AKTIENGESELLSCHAFT (CH) 1981-12-23 — — EP disclosed
Send feedback