SCHEMBL20114747

SCHEMBL20114747

COC(=O)c1cccc(N[S+]([O-])c2sc3c(Cl)cccc3c2C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 5/20 0.62
PFKFB3 Q16875 4/20 0.62
MAPT P10636 7/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 4/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL787754 0.77 PFKFB4 (1.00) PFKFB4PFKFB3POLBTCF4CTNNB1
SCHEMBL15619156 0.70 PFKFB4 (0.55) PFKFB4PFKFB3MAPTALDH1A1KMT2A
SCHEMBL30444044 0.70 RAB9A (0.56) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL787993 0.65 PFKFB4 (1.00) PFKFB4PFKFB3ALDH1A1KMT2ANPC1
SCHEMBL5928273 0.64 KMT2A (0.61) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL31370875 0.64 PFKFB3 (0.46) PFKFB4PFKFB3MAPTALDH1A1KMT2A
SCHEMBL16386082 0.64 TCF4 (0.52) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL788343 0.64 PFKFB4 (1.00) PFKFB4PFKFB3POLBTCF4CTNNB1
SCHEMBL3689081 0.63 ALDH1A1 (0.53) PFKFB4PFKFB3MAPTALDH1A1KMT2A
SCHEMBL3190591 0.63 PFKFB3 (0.46) PFKFB4PFKFB3MAPTALDH1A1KMT2A

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
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed