SCHEMBL10970187

SCHEMBL10970187

COc1ccc(-c2nc([S+]([O-])c3ccccc3)n(C)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ADORA2A P29274 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA3 P34903 1/20 0.39

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
SCHEMBL10987849 0.76 HTT (0.50) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL27881874 0.75 LMNA (0.59) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL18487388 0.72 CA4 (0.48) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL10966368 0.71 LMNA (0.50) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL5443200 0.70 ALDH1A1 (0.47) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL10989518 0.70 ALDH1A1 (0.47) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL4429243 0.70 TEK (0.60) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL10970915 0.70 MAPT (0.53) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL5082102 0.70 TEK (0.60) KDM4ELMNANPSR1ALDH1A1TDP1
SCHEMBL6395440 0.70 CA4 (0.54) KDM4ELMNANPSR1ALDH1A1TDP1

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-0043788-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1985-10-30 — — EP disclosed
US-4528298-A Antiinflammatory imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1985-07-09 — — US disclosed
US-4402960-A Antiinflammatory imidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1983-09-06 — — US disclosed
EP-0043788-A1 Imidazole derivatives, process for their preparation and their pharmaceutical compositions SCHERING AKTIENGESELLSCHAFT (DE) 1982-01-13 — — EP disclosed
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