SCHEMBL11418436

SCHEMBL11418436

OC(=S)c1ccc(Br)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.46
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 2/20 0.39
HSP90AA1 P07900 1/20 0.39
TLR9 Q9NR96 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
DGAT1 O75907 1/20 0.36
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
CES2 O00748 1/20 0.35
GALR3 O60755 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL2956400 0.79 ALOX15 (0.44) ALOX15HPGDALDH1A1KDM4EGLA
SCHEMBL27634539 0.77 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EFLT1FLT4
SCHEMBL1743890 0.77 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EGLAFLT1
SCHEMBL29853660 0.76 KDM4E (0.57) ALOX15KMT2AHPGDL3MBTL1HSP90AA1
SCHEMBL2780747 0.76 KDM4E (0.57) ALOX15KMT2AHPGDL3MBTL1HSP90AA1
SCHEMBL27854521 0.74 ALOX15 (0.59) ALOX15KMT2AHPGDL3MBTL1KDM4E
SCHEMBL27892673 0.73 HPGD (0.58) ALOX15KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL18242478 0.73 ALOX15 (0.48) ALOX15KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL29875641 0.73 ALDH1A1 (0.51) ALOX15KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL11444417 0.73 NPSR1 (0.37) ALOX15KMT2AHPGDL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4198428-A PESTICIDES, MICROBIOCIDES, MOLLUSCOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed