SCHEMBL2474871

SCHEMBL2474871

O=C(OBr)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
POLB P06746 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL1116172 0.85 ATM (0.46) PARP1KDM4EL3MBTL1GAATDP1
SCHEMBL388521 0.83 PARP1 (0.61) PARP1ALDH1A1KDM4EUSP2ALOX15
SCHEMBL31001112 0.83 PARP1 (0.61) PARP1ALDH1A1KDM4EUSP2ALOX15
SCHEMBL2381176 0.83 PARP1 (0.61) PARP1ALDH1A1KDM4EUSP2ALOX15
SCHEMBL29764528 0.83 PARP1 (0.61) PARP1ALDH1A1KDM4EUSP2ALOX15
SCHEMBL29351761 0.82 PARP1 (0.64) PARP1ALDH1A1KDM4EUSP2ALOX15
SCHEMBL4370629 0.82 PARP1 (0.64) PARP1ALDH1A1KDM4EUSP2ALOX15
SCHEMBL1259 0.82 PARP1 (0.64) PARP1ALDH1A1KDM4EUSP2ALOX15
Chloroform SCHEMBL11735729 0.81 PARP1 (0.58) PARP1ALDH1A1KDM4EUSP2ALOX15
SCHEMBL3821379 0.81 L3MBTL1 (0.56) PARP1ALDH1A1KDM4EUSP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373317-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2011-10-12 EP disclosed
WO-2010065275-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2010-06-10 WO disclosed