SCHEMBL3624428

SCHEMBL3624428

Cc1ccc(OCc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2C)c(-c2ccnc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 3/20 0.38
FFAR1 O14842 1/20 0.37
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 2/20 0.36
MEN1 O00255 2/20 0.36
LIPE Q05469 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 3/20 0.35
KDM4A O75164 2/20 0.34
KDM5A P29375 2/20 0.34
KDM2B Q8NHM5 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
CRHBP P24387 1/20 0.34
MC4R P32245 1/20 0.34
CRHR2 Q13324 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
SCHEMBL3627153 0.95 LMNA (0.39) SMN1; SMN2LMNAFFAR1KMT2ARAB9A
SCHEMBL3625775 0.91 SMN1; SMN2 (0.46) SMN1; SMN2LMNAFFAR1KMT2ARAB9A
SCHEMBL3628846 0.83 GUCY1B2 (0.41) SMN1; SMN2LMNAFFAR1KMT2ARAB9A
SCHEMBL4004433 0.83 KEAP1 (0.45) SMN1; SMN2LMNAKMT2ARAB9AATM
SCHEMBL3628794 0.81 MEN1 (0.45) KMT2ARAB9AATMMEN1NPC1
SCHEMBL3996498 0.78 KEAP1 (0.45) KMT2AMEN1CRHBPMC4RCRHR2
SCHEMBL3998895 0.77 KEAP1 (0.45) SMN1; SMN2LMNAKMT2ARAB9AATM
SCHEMBL3627484 0.77 RAB9A (0.46) SMN1; SMN2LMNAKMT2ARAB9AATM
SCHEMBL3627139 0.77 SYK (0.38) SMN1; SMN2KMT2ARAB9AATMMEN1
SCHEMBL3996781 0.75 GUCY1B2 (0.43) SMN1; SMN2MAPTGUCY1B2GUCY1A2GUCY1A1

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