SCHEMBL3235607

SCHEMBL3235607

CCCOc1cc(Br)ccc1CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
EGFR P00533 2/20 0.43
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 5/20 0.40
HSD17B10 Q99714 1/20 0.40
AR P10275 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 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
SCHEMBL4000613 0.84 FBP1 (0.41) HPGDSMN1; SMN2NPC1LMNARAB9A
SCHEMBL3234853 0.84 HPGD (0.53) HPGDSMN1; SMN2NPC1LMNARAB9A
SCHEMBL20563650 0.81 SMN1; SMN2 (0.50) HPGDSMN1; SMN2NPC1LMNARAB9A
SCHEMBL7928370 0.81 HPGD (0.60) HPGDSMN1; SMN2NPC1LMNARAB9A
SCHEMBL15820910 0.80 HPGD (0.46) HPGDSMN1; SMN2NPC1LMNARAB9A
SCHEMBL26667665 0.79 HPGD (0.54) HPGDSMN1; SMN2NPC1LMNARAB9A
SCHEMBL4004332 0.79 ALDH1A1 (0.42) HPGDSMN1; SMN2NPC1LMNARAB9A
SCHEMBL30423333 0.77 PYCR1 (0.53) LMNAKDM4EMEN1HTTKMT2A
SCHEMBL1125103 0.77 PYCR1 (0.53) LMNAKDM4EMEN1HTTKMT2A
SCHEMBL20505248 0.77 HPGD (0.46) HPGDSMN1; SMN2NPC1LMNARAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2010015652-A2 THIAZOLE COMPOUNDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed