SCHEMBL11520089

SCHEMBL11520089

O=[N+]([O-])c1cccc(Sc2ccc(-c3ccc(Br)cc3)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
APP P05067 2/20 0.45
XDH P47989 1/20 0.43
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
PGR P06401 1/20 0.40
MMP13 P45452 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ACKR3 P25106 1/20 0.37
GFER P55789 1/20 0.37
PKM P14618 2/20 0.36
PDE7A Q13946 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36

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
SCHEMBL11521075 0.82 HSP90AA1 (0.46) HSP90AA1APPLMNATSHRPGR
SCHEMBL11521948 0.80 APP (0.60) HSP90AA1APPXDHLMNAMMP13
SCHEMBL11566254 0.76 KMO (0.48) HSP90AA1APPLMNATSHRPGR
SCHEMBL11520329 0.74 APP (0.56) APPLMNAMEN1KMT2AACKR3
SCHEMBL31405188 0.73 HSP90AA1 (0.77) HSP90AA1LMNATSHRKMT2APDE7A
SCHEMBL11356136 0.73 HSP90AA1 (0.77) HSP90AA1LMNATSHRKMT2APDE7A
SCHEMBL11520999 0.72 APP (0.57) APPLMNAMEN1KMT2APKM
SCHEMBL11521568 0.69 APP (0.53) APPXDHLMNAMEN1KMT2A
SCHEMBL2887765 0.69 HSP90AA1 (0.69) HSP90AA1LMNATSHRMEN1KMT2A
SCHEMBL2179103 0.69 APP (0.66) APPLMNATSHRPGRMEN1

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
US-4174405-A MITICIDES UNIROYAL, INC. (US) 1979-11-13 US claimed
US-4174405-A MITICIDES UNIROYAL, INC. (US) 1979-11-13 US disclosed