SCHEMBL3624902

SCHEMBL3624902

COc1ccc(-c2ccc(COc3ccc(F)cc3-c3ccnc(N4CCC(C(=O)O)CC4)n3)c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NEK2 P51955 2/20 0.41
GUCY1B2 O75343 2/20 0.40
GUCY1A2 P33402 2/20 0.40
GUCY1A1 Q02108 2/20 0.40
GUCY1B1 Q02153 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 3/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
SCN9A Q15858 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
CDK6 Q00534 1/20 0.39

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
SCHEMBL3628362 0.95 GUCY1B2 (0.42) KDM4EALDH1A1NEK2GUCY1B2GUCY1A2
SCHEMBL3624888 0.92 GUCY1B2 (0.47) KDM4EALDH1A1NEK2GUCY1B2GUCY1A2
SCHEMBL3627146 0.92 GUCY1B2 (0.44) KDM4EALDH1A1NEK2GUCY1B2GUCY1A2
SCHEMBL3626258 0.90 GUCY1B2 (0.39) KDM4EGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3997687 0.88 SCN9A (0.44) NEK2GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3616728 0.85 GUCY1B2 (0.45) KDM4EGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3624521 0.85 GUCY1B2 (0.43) KDM4EALDH1A1NEK2GUCY1B2GUCY1A2
SCHEMBL3627415 0.85 HCRTR1 (0.44) KDM4EALDH1A1NEK2GUCY1B2GUCY1A2
SCHEMBL3618939 0.84 GUCY1B2 (0.45) KDM4ENEK2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL3628719 0.84 GUCY1B2 (0.44) KDM4EALDH1A1NEK2GUCY1B2GUCY1A2

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