SCHEMBL6676232

SCHEMBL6676232

CCN(C)C(=N)Nc1cccc(CN)c1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 2/20 0.31
USP2 O75604 1/20 0.31
PPARG P37231 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
BCHE P06276 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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 SCHEMBL6684659 0.99 MAPT (0.34) MAPTKMT2ALMNAHPGDALOX12
SCHEMBL6675210 0.86 PNMT (0.39) MAPTKMT2ALMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL6684651 0.84 PNMT (0.38) MAPTKMT2ALMNAALDH1A1GAA
Hydrochloric Acid SCHEMBL7246948 0.83 ALDH1A1 (0.33) MAPTKMT2AALDH1A1GAATP53
SCHEMBL6676422 0.77 ALDH1A1 (0.42) MAPTKMT2ALMNAHPGDALOX12
SCHEMBL6677280 0.76 LMNA (0.34) KMT2ALMNAHPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL6675363 0.75 ALDH1A1 (0.41) MAPTKMT2ALMNAHPGDALOX12
SCHEMBL6676424 0.71 CACNA1C (0.48) MAPTKMT2ALMNAHPGDALOX12
Hydrochloric Acid SCHEMBL6675369 0.70 CACNA1C (0.47) MAPTKMT2ALMNAHPGDALOX12
SCHEMBL6676235 0.70 ALDH1A1 (0.41) MAPTKMT2ALMNAHPGDALOX12

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed