SCHEMBL10951920

SCHEMBL10951920

C[S+]([O-])c1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
MAPT P10636 2/20 0.45
CYP19A1 P11511 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
IL18 Q14116 1/20 0.45
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
PGR P06401 2/20 0.39
CACNA1B Q00975 3/20 0.38
CACNA1G O43497 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
SCHEMBL5783780 0.88 CYP2A6 (0.48) KDM4ELMNAALDH1A1CYP2A6CA1
SCHEMBL15109054 0.88 CYP2A6 (0.48) KDM4ELMNAALDH1A1CYP2A6CA1
SCHEMBL17907419 0.84 ALDH1A1 (0.38) MAPTMEN1LMNAPOLBMAPK1
SCHEMBL7041250 0.79 PARP15 (0.63) PARP15PARP10PARP2MAPTCYP19A1
SCHEMBL8852392 0.79 PARP15 (0.63) PARP15PARP10PARP2MAPTCYP19A1
SCHEMBL16841481 0.76 TEAD4 (0.50) MAPTMEN1LMNAPOLBMAPK1
SCHEMBL20710436 0.76 LTA4H (0.52) LMNAPGRCA1CA2CA9
SCHEMBL16705494 0.75 LTA4H (0.37) MAPTMEN1LMNARAB9AKMT2A
SCHEMBL459019 0.74 ALDH1A1 (0.73) PARP15PARP10PARP2MAPTCYP19A1
SCHEMBL921496 0.74 MAOA (0.56) PARP15PARP10PARP2MAPTCYP19A1

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-4505929-A Sulfur-substituted diphenyl ethers having antiviral activity THE DOW CHEMICAL COMPANY (US) 1985-03-19 US disclosed
US-4349568-A Sulfur-substituted diphenyl ethers having antiviral activity THE DOW CHEMICAL COMPANY (US) 1982-09-14 US disclosed