SCHEMBL18499385

SCHEMBL18499385

Cc1ccc([S+]([O-])n2cc(C=O)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ UBE2N P61088 1/20 0.53
▸ ALDH1A1 P00352 8/20 0.50
▸ IMPDH2 P12268 1/20 0.50
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ HTT P42858 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13335117 0.77 KDM4E (0.35) KDM4EUBE2NHTTMAPTLMNA
SCHEMBL6453828 0.76 ALDH1A1 (0.45) KDM4EUBE2NALDH1A1IMPDH2POLB
SCHEMBL15910207 0.72 MAPT (0.42) KDM4EUBE2NKMT2AMEN1HTT
SCHEMBL19938115 0.70 SMN1; SMN2 (0.35) KDM4EUBE2NALDH1A1SMN1; SMN2HTT
SCHEMBL946372 0.70 KDM4E (1.00) KDM4EUBE2NALDH1A1IMPDH2POLB
SCHEMBL29694480 0.70 KDM4E (1.00) KDM4EUBE2NALDH1A1IMPDH2POLB
SCHEMBL8758318 0.68 ALDH1A1 (0.76) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL378958 0.68 ALDH1A1 (1.00) KDM4EUBE2NALDH1A1IMPDH2POLB
SCHEMBL29365374 0.68 ALDH1A1 (1.00) KDM4EUBE2NALDH1A1IMPDH2POLB
SCHEMBL28501014 0.67 PTGS2 (0.67) KDM4EUBE2NALDH1A1IMPDH2POLB

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-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 — — US disclosed
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