SCHEMBL4845838

SCHEMBL4845838

O=[N+]([O-])c1c[c]ccc1Sc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 7/20 0.55
▸ PDE7B Q9NP56 3/20 0.55
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GSTP1 P09211 1/20 0.48
▸ GSTM2 P28161 1/20 0.48
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ USP47 Q96K76 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BCL2L1 Q07817 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
SCHEMBL2889573 0.84 PDE7A (0.54) PDE7APDE7BMEN1KMT2ASMN1; SMN2
SCHEMBL3506549 0.80 PDE7A (0.56) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL30338244 0.79 PDE7A (0.65) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL1713219 0.79 PDE7A (0.65) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL2881438 0.76 TDP1 (0.39) PDE7AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3297230 0.76 PDE7A (0.38) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL1451915 0.75 MAOA (0.38) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL9709555 0.73 PDE7A (0.58) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL19048971 0.73 PDE7A (0.71) PDE7APDE7BMAPTMEN1KMT2A
Diphenylsulfane SCHEMBL27370215 0.73 PDE7A (0.56) PDE7APDE7BMAPTMEN1KMT2A

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
US-7323458-B1 Dihydrobenzodiazepins and their use for treating dyslipidemia MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-29 — — US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 — — EP disclosed
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