SCHEMBL14952964

SCHEMBL14952964

Cc1cc(-c2ccc(C(F)(F)F)cc2C)ccc1COc1c(F)cc(F)cc1-c1csc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 10/20 0.45
GUCY1A2 P33402 10/20 0.45
GUCY1A1 Q02108 10/20 0.45
GUCY1B1 Q02153 10/20 0.45
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
AR P10275 1/20 0.38
MPL P40238 1/20 0.38

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
SCHEMBL3222823 0.94 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL14952909 0.89 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3230866 0.86 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3229063 0.85 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3263161 0.85 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3227268 0.83 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3229937 0.82 PTGDR2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3222758 0.82 L3MBTL1 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1L3MBTL1
SCHEMBL3998766 0.82 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3239175 0.82 GUCY1B2 (0.40) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2

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
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP claimed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed