SCHEMBL3628846

SCHEMBL3628846

Cc1ccc(OCc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2C)c(-c2ccnc(N3CCC(C(=O)O)CC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 2/20 0.41
GUCY1A2 P33402 2/20 0.41
GUCY1A1 Q02108 2/20 0.41
GUCY1B1 Q02153 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.38
FFAR1 O14842 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
SYK P43405 1/20 0.36
LIPE Q05469 1/20 0.36
PRKD3 O94806 1/20 0.36
S1PR1 P21453 1/20 0.36
CDK7 P50613 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL3996781 0.90 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3627126 0.88 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3627113 0.84 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3627141 0.83 SYK (0.38) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3624428 0.83 SMN1; SMN2 (0.39) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3629056 0.82 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3627142 0.82 GUCY1B2 (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP2C9
SCHEMBL3628719 0.81 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1FFAR1
SCHEMBL3616728 0.81 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3626338 0.81 S1PR1 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ALDH1A1

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 4 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
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO 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
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed