SCHEMBL11835181

SCHEMBL11835181

CCOC(=O)C(SC(C)=S)c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ GRM6 O15303 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PPARG P37231 1/20 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
SCHEMBL11841294 0.90 KDM4E (0.39) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11835187 0.86 KDM4E (0.36) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11844131 0.83 KDM4E (0.37) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11847739 0.82 KDM4E (0.38) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11830217 0.81 PTPN1 (0.37) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11830204 0.80 MAOB (0.41) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11840658 0.80 KDM4E (0.40) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11790207 0.78 CASP1 (0.47) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11836185 0.78 GRM6 (0.42) KDM4EGRM6ALDH1A1HPGDMAPT
SCHEMBL11843698 0.78 ELANE (0.45) ALDH1A1DHODHLMNACYP2A6AKR1C3

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-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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