SCHEMBL13822671

SCHEMBL13822671

O=c1c(-c2nc3ccccc3s2)c(C(O)=S)oc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.45
▸ THRB P10828 2/20 0.45
▸ KDM4E B2RXH2 7/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ BLM P54132 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42

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
SCHEMBL13833704 0.77 MAPT (0.60) MAPTTHRBKDM4ERAB9ANPC1
SCHEMBL6510910 0.75 PIK3CD (0.53) MAPTTHRBKDM4ERAB9ANPC1
SCHEMBL28388321 0.73 KDM4E (0.49) MAPTTHRBKDM4ERAB9ANPC1
SCHEMBL28218224 0.73 PIK3CD (0.47) MAPTTHRBKDM4ERAB9ANPC1
SCHEMBL13833701 0.71 KDM4E (0.53) MAPTTHRBKDM4ERAB9ANPC1
SCHEMBL16410904 0.70 PIK3CD (0.56) MAPTTHRBKDM4ERAB9ANPC1
SCHEMBL13833795 0.69 MAPT (0.55) MAPTTHRBKDM4ERAB9ANPC1
SCHEMBL3442682 0.68 ELANE (0.45) MAPTTHRBKDM4ERAB9AMEN1
SCHEMBL13700932 0.67 ELANE (0.59) MAPTKDM4ERAB9ANPC1ATM
SCHEMBL28072963 0.66 MAPT (0.52) MAPTTHRBKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524916-B1 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME HANMI SCIENCE CO LTD (KR) 2014-07-23 — — EP disclosed
EP-2524916-A2 METHOD FOR PREPARING TETRAZOLE METHANESULFONIC ACID SALTS, AND NOVEL COMPOUND USED IN SAME Hanmi Science Co., Ltd. (KR) 2012-11-21 — — EP disclosed
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