SCHEMBL9695979

SCHEMBL9695979

CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCNc3nc4ccccc4n3CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
PKM P14618 2/20 0.46
MAPT P10636 1/20 0.46
HSD11B1 P28845 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10375808 0.81 NOD1 (0.50) ALDH1A1IKBKBCHUKPKMMAPT
SCHEMBL9697096 0.77 HSD11B1 (0.74) ALDH1A1PKMMAPTHSD11B1SMN1; SMN2
Hydrochloric Acid SCHEMBL9695983 0.76 HSD11B1 (0.73) ALDH1A1PKMMAPTHSD11B1SMN1; SMN2
SCHEMBL10471768 0.74 L3MBTL1 (0.56) ALDH1A1IKBKBCHUKMAPTHSD11B1
SCHEMBL31249024 0.71 KDM4E (0.61) ALDH1A1PKMSMN1; SMN2KMT2AGAA
SCHEMBL839645 0.71 KDM4E (0.61) ALDH1A1PKMSMN1; SMN2KMT2AGAA
SCHEMBL840080 0.66 KDM4E (0.63) ALDH1A1PKMMAPTSMN1; SMN2MEN1
SCHEMBL32688151 0.66 KDM4E (0.63) ALDH1A1PKMMAPTSMN1; SMN2MEN1
SCHEMBL9695430 0.65 POLB (0.46) MAPTSMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL840079 0.65 KDM4E (0.64) ALDH1A1PKMMAPTSMN1; SMN2MEN1

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
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
US-4935515-A ANTIARRHYTHMIA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-06-19 US disclosed