SCHEMBL5074191

SCHEMBL5074191

CCCCCCCCCCCCCCC[S+]([O-])Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
EPHX2 P34913 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 2/20 0.41
KCNH2 Q12809 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
CETP P11597 1/20 0.39

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
SCHEMBL11223470 1.00 DNM1 (0.43) DNM1MEN1KMT2ACES2CES1
SCHEMBL9245737 1.00 DNM1 (0.43) DNM1MEN1KMT2ACES2CES1
SCHEMBL17104769 0.92 TP53 (0.39) DNM1MEN1KMT2ACES2CES1
SCHEMBL5320699 0.84 TP53 (0.42) DNM1CES2CES1TP53SMN1; SMN2
SCHEMBL12040726 0.84 KCNH2 (0.47) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL9244232 0.84 KCNH2 (0.47) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL9247311 0.84 KCNH2 (0.56) TP53KCNH2SIGMAR1CETP
SCHEMBL5690887 0.82 THRA (0.35) TP53SMN1; SMN2KCNH2
SCHEMBL8019206 0.82 ESR1 (0.38) CES2CES1TP53SMN1; SMN2
SCHEMBL5366304 0.81 SIGMAR1 (0.41) DNM1MEN1KMT2ACES2CES1

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
EP-1697465-B1 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GEN ELECTRIC (US) 2008-02-13 EP disclosed
US-20050137310-A1 Polymer nanocomposites and methods for their preparation CITIBANK, N.A., AS COLLATERAL AGENT 2005-06-23 US disclosed