SCHEMBL9360556

SCHEMBL9360556

O=C(O)c1n[c]sc1-c1cccc(O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.37
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ MAOA P21397 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALOX15 P16050 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TTR P02766 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ RECQL P46063 2/20 0.34

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
SCHEMBL9365480 0.72 AKR1B1 (0.38) FTOMAOAALDH1A1HPGDSMN1; SMN2
SCHEMBL10015554 0.66 CA1 (0.67) FTOCA1CA2CA12CA7
SCHEMBL337585 0.64 ALDH1A1 (0.69) CA1CA2CA12CA14MAOA
SCHEMBL29453072 0.64 ALDH1A1 (0.69) CA1CA2CA12CA14MAOA
SCHEMBL7026198 0.64 ALDH1A1 (0.59) FTOCA1CA2CA12CA7
SCHEMBL15602692 0.64 HTR2B (0.56) ALDH1A1SMN1; SMN2KDM4EKMT2ARAB9A
SCHEMBL9362141 0.64 ALDH1A1 (0.38) CA1CA2MAOAALDH1A1HPGD
SCHEMBL9361981 0.64 GUSB (0.39) CA1CA2MAOAALDH1A1HPGD
Bicarbonate SCHEMBL27723911 0.63 HNF4A (0.62) FTOCA1CA2CA12CA7
SCHEMBL10598796 0.62 TTR (0.52) FTOCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241901-B1 Cephalosporin derivatives, processes for their preparation and antibacterial agents BANYU PHARMA CO LTD (JP) 1994-08-24 — — EP disclosed
US-5061794-A Effective against pseudomonads BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 — — US disclosed
EP-0241901-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-10-21 — — EP disclosed
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