SCHEMBL9780205

SCHEMBL9780205

O=S(=O)(Cl)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CASP6 P55212 1/20 0.49
GFER P55789 1/20 0.49
METAP1 P53582 1/20 0.49
TDP2 O95551 1/20 0.44
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
S100A4 P26447 1/20 0.38
CHEK2 O96017 1/20 0.38
ROS1 P08922 1/20 0.38
MARK3 P27448 1/20 0.38
LTK P29376 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 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
SCHEMBL2264797 0.89 KMT2A (0.58) KMT2AMEN1CASP6GFERMETAP1
SCHEMBL6162025 0.81 KDM4E (0.54) KMT2AMEN1CASP6GFERGAA
Sulfuric Acid SCHEMBL19149045 0.80 METAP1 (0.56) KMT2AMEN1CASP6GFERMETAP1
SCHEMBL28126153 0.79 METAP1 (0.57) METAP1TDP2MAPTKDM4ELMNA
SCHEMBL29376113 0.79 METAP1 (0.57) METAP1TDP2MAPTKDM4ELMNA
SCHEMBL40823 0.79 METAP1 (0.57) METAP1TDP2MAPTKDM4ELMNA
Ammonia Solution, Strong SCHEMBL28144371 0.77 METAP1 (0.55) METAP1TDP2MAPTKDM4ELMNA
SCHEMBL27619851 0.77 METAP1 (0.55) METAP1TDP2MAPTKDM4ELMNA
SCHEMBL4254618 0.75 METAP1 (0.71) METAP1TDP2SRD5A1SRD5A2S100A4
SCHEMBL4826135 0.75 METAP1 (0.53) METAP1TDP2MAPTKDM4ELMNA

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-5030631-A Hypotensive, bronchodilator agents SCHERING CORPORATION (US) 1991-07-09 US disclosed