SCHEMBL10646596

SCHEMBL10646596

CCc1oc2ccc(NC(C)=O)cc2c1S(=O)(=O)NCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ ELANE P08246 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ MMP2 P08253 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
SCHEMBL10648896 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1CA12CA9
SCHEMBL28195508 0.76 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL10646603 0.74 MMP2 (0.34) ALDH1A1MAPTKDM4ETDP1AKR1B1
SCHEMBL4824728 0.70 POLB (0.73) ALDH1A1KDM4ECA12CA9SMN1; SMN2
SCHEMBL8973399 0.70 POLB (0.56) ALDH1A1KDM4ETDP1SMN1; SMN2POLB
SCHEMBL5560749 0.66 KMT2A (0.60) ALDH1A1MAPTKDM4EHPGDCA12
SCHEMBL17786550 0.66 CSNK2A2 (0.55) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL2785581 0.65 NPC1 (0.58) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL15022422 0.65 MCL1 (0.60) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL12325505 0.64 CSNK2A2 (0.51) ALDH1A1MAPTKDM4EHPGDPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187387-B1 BENZOFURAN DERIVATIVE, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1988-09-28 — — EP claimed
EP-0187387-A1 Benzofuran derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1986-07-16 — — EP claimed
EP-0187387-B1 BENZOFURAN DERIVATIVE, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1988-09-28 — — EP disclosed
EP-0187387-A1 Benzofuran derivative, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1986-07-16 — — EP disclosed
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