SCHEMBL8572725

SCHEMBL8572725

COc1cc(Br)c(S(=O)(=O)N(C)C)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ MCL1 Q07820 1/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA13 Q8N1Q1 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45

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
SCHEMBL11159006 0.89 KDM4E (0.60) LCKFYNKDM4ENPSR1MAPT
SCHEMBL8575419 0.88 MAPT (0.47) LCKFYNKDM4ENPSR1MAPT
SCHEMBL10728244 0.85 KDM4E (0.49) LCKFYNKDM4ENPSR1MAPT
SCHEMBL10721823 0.84 LCK (0.59) LCKFYNKDM4ENPSR1CA12
SCHEMBL8573435 0.84 CA12 (0.67) LCKFYNKDM4ENPSR1MAPT
SCHEMBL7450372 0.83 LCK (0.57) LCKFYNKDM4ENPSR1CA12
SCHEMBL7441007 0.81 LCK (0.56) LCKFYNKDM4ENPSR1MAPT
SCHEMBL5241942 0.79 TSHR (0.60) KDM4EMAPTALDH1A1TSHRGLA
SCHEMBL8577707 0.78 MCL1 (0.48) KDM4EMCL1CA12CA1CA2
SCHEMBL8575404 0.76 MCL1 (0.46) LCKFYNKDM4ENPSR1MCL1

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-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 — — US disclosed
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