SCHEMBL9697955

SCHEMBL9697955

CNCCN(C)Cc1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
PKM P14618 1/20 0.57
DDAH1 O94760 1/20 0.51
GAA P10253 1/20 0.49
CXCR4 P61073 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KRAS P01116 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL23303404 0.88 BCHE (0.70) BCHETDP1PKMDDAH1GAA
SCHEMBL23336458 0.85 BCHE (0.66) BCHETDP1PKMDDAH1GAA
SCHEMBL711939 0.85 TDP1 (0.70) BCHETDP1PKMDDAH1GAA
SCHEMBL1333203 0.82 BCHE (0.82) BCHETDP1PKMDDAH1GAA
SCHEMBL708642 0.82 TDP1 (0.63) BCHETDP1PKMDDAH1GAA
Hydrochloric Acid SCHEMBL709917 0.82 TDP1 (0.71) BCHETDP1PKMDDAH1GAA
Hydrochloric Acid SCHEMBL708641 0.82 TDP1 (0.67) BCHETDP1PKMDDAH1GAA
Hydrochloric Acid SCHEMBL709918 0.82 TDP1 (0.67) BCHETDP1PKMDDAH1GAA
Hydrochloric Acid SCHEMBL708640 0.82 TDP1 (0.71) BCHETDP1PKMDDAH1GAA
SCHEMBL8509650 0.80 TDP1 (0.55) BCHETDP1PKMGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5149700-A Antiarrhythmic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed
WO-1991018904-A1 SUBSTITUTED ARYLSULFONAMIDES AND BENZAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-12-12 WO disclosed