SCHEMBL7184644

SCHEMBL7184644

CS(=O)(=O)c1ccc(NC2CCC(O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.56
WNK1 Q9H4A3 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.52
ALDH3A1 P30838 5/20 0.50
LMNA P02545 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
PKM P14618 2/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL7184647 1.00 HCAR3 (0.56) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL19203959 0.87 WNK1 (0.70) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL7179470 0.83 HCAR3 (0.53) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL7179468 0.83 HCAR3 (0.53) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL7180257 0.83 HCAR3 (0.60) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL7180261 0.83 HCAR3 (0.60) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL20337694 0.82 MAPT (0.56) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL4440176 0.82 HCAR3 (0.54) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL4440170 0.82 HCAR3 (0.54) HCAR3WNK1MEN1KMT2AALDH1A1
SCHEMBL21294007 0.80 HCAR3 (0.60) HCAR3WNK1MEN1KMT2AALDH1A1

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-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed