SCHEMBL11326751

SCHEMBL11326751

O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[n+]([O-])n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TXNRD1 Q16881 1/20 0.36
ALDH1A1 P00352 4/20 0.33
CYP3A4 P08684 2/20 0.33
RECQL P46063 1/20 0.33
GLP1R P43220 1/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PNMT P11086 1/20 0.32
HPGD P15428 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MLNR O43193 1/20 0.32

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
SCHEMBL11326651 0.93 KMT2A (0.40) MEN1MAPK1KMT2AALDH1A1CYP3A4
SCHEMBL11161977 0.93 CYP2D6 (0.39) MEN1MAPK1KMT2ATXNRD1ALDH1A1
SCHEMBL11317440 0.85 CYP1A2 (0.35) MEN1KMT2AALDH1A1CYP3A4KDM4E
SCHEMBL11322664 0.82 TXNRD1 (0.42) MAPK1TXNRD1ALDH1A1CYP3A4KDM4E
SCHEMBL11319336 0.81 ALDH1A1 (0.42) MEN1MAPK1KMT2AALDH1A1CYP3A4
SCHEMBL11326787 0.80 GSR (0.34) MEN1KMT2ATXNRD1ALDH1A1CYP3A4
SCHEMBL11155872 0.80 SCD (0.36) MEN1KMT2AALDH1A1RECQLKDM4E
SCHEMBL11326374 0.74 HPGD (0.40) ALDH1A1KDM4EGAAHPGD
SCHEMBL11318948 0.72 RIPK1 (0.36) TXNRD1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL11326541 0.72 PKM (0.42) MAPTLMNAGAA

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-4289771-A BACTERICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed