SCHEMBL10691930

SCHEMBL10691930

COc1ccnc(C[S+]([O-])c2nc3cc(C)c(C)cc3[nH]2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 9/20 0.43
ATP4B P51164 9/20 0.43
ATP1A1 P05023 6/20 0.43
ATP1B1 P05026 6/20 0.43
ATP1A3 P13637 6/20 0.43
ATP1B2 P14415 6/20 0.43
ATP1A2 P50993 6/20 0.43
ATP1B3 P54709 6/20 0.43
FXYD2 P54710 6/20 0.43
ATP1A4 Q13733 6/20 0.43
AMY1A P0DUB6 7/20 0.41
GUSB P08236 1/20 0.38
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
CBFB Q13951 1/20 0.35
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10335163 0.89 ATP4A (0.41) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10335419 0.89 ATP4A (0.48) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL8503340 0.89 CYP2C9 (0.46) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL9527378 0.88 ATP4A (0.54) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL14648568 0.87 ATP4A (0.40) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10616885 0.87 CYP2C9 (0.41) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10616894 0.87 CYP2C9 (0.41) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988598 0.87 ATP4A (0.41) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL23988516 0.87 ATP4A (0.41) ATP4AATP4BATP1A1ATP1B1ATP1A3
SCHEMBL10480713 0.87 ATP4A (0.41) ATP4AATP4BATP1A1ATP1B1ATP1A3

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-4725691-A CHEMICAL INTERMEDIATES; ANTISECRETORY AGENTS AKTIEBOLAGET HASSLE (SE) 1988-02-16 US disclosed
US-4636499-A GASTRIC ANTISECRETORY AKTIEBOLAGET HASSLE (SE) 1987-01-13 US disclosed
EP-0171372-A1 Sulphenamides, processes for their preparation and their use in the manufacture of pharmaceutical preparations Aktiebolaget Hässle (SE) 1986-02-12 EP disclosed