SCHEMBL3616710

SCHEMBL3616710

O=C(O)c1cnn(-c2nccc(-c3ccccc3OCc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGER1 P34995 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALKBH1 Q13686 1/20 0.39
MCL1 Q07820 1/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
PTPN1 P18031 2/20 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
SCHEMBL3626353 0.96 MAPT (0.44) POLBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL3627313 0.93 RAB9A (0.47) POLBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL3620278 0.91 RAB9A (0.50) POLBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL14952822 0.90 POLB (0.40) POLBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL3627139 0.88 SYK (0.38) POLBMAPTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL1781941 0.87 KEAP1 (0.51) POLBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL3622287 0.86 KDM5A (0.44) POLBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL3626358 0.85 MAPT (0.44) POLBMAPTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL1783253 0.84 KDM4E (0.59) POLBMAPTRAB9AKDM4EMEN1
SCHEMBL3627409 0.84 POLB (0.39) POLBMAPTSMN1; SMN2RAB9AKDM4E

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