SCHEMBL3627484

SCHEMBL3627484

COc1ccc(-c2ccc(COc3ccccc3-c3ccnc(-n4ncc(C(=O)O)c4C(F)(F)F)n3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
SYK P43405 2/20 0.40
DGAT2 Q96PD7 1/20 0.38
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 3/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 5/20 0.36
GUCY1A1 Q02108 3/20 0.36
GUCY1B1 Q02153 3/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 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
SCHEMBL3627139 0.93 SYK (0.38) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL3628794 0.91 MEN1 (0.45) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL3628869 0.90 KDM4C (0.39) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL3620278 0.90 RAB9A (0.50) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL3996759 0.89 KEAP1 (0.51) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL4000225 0.83 KEAP1 (0.52) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL3626353 0.83 MAPT (0.44) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL3626358 0.83 MAPT (0.44) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL4003529 0.83 KEAP1 (0.49) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL3996644 0.83 KEAP1 (0.49) RAB9AMEN1KMT2ANPC1ATM

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