SCHEMBL8359607

SCHEMBL8359607

C[S+]([O-])CC[C@@H](N)C(=O)N1CCc2[nH]c(=O)c3ccccc3c2C1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 10/20 0.61
▸ BAZ2B Q9UIF8 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL8359603 0.84 PARP1 (0.74) PARP1BAZ2BLMNAMAPTALDH1A1
SCHEMBL8359594 0.81 PARP1 (0.63) PARP1BAZ2BLMNAMAPTALDH1A1
SCHEMBL8359466 0.81 PARP1 (0.66) PARP1BAZ2BLMNAMAPTTAAR1
SCHEMBL8359606 0.79 PARP1 (0.61) PARP1BAZ2BLMNAMAPTALDH1A1
SCHEMBL8359708 0.78 PARP1 (0.60) PARP1BAZ2BLMNAMAPTTAAR1
SCHEMBL8359478 0.78 PARP1 (0.60) PARP1BAZ2BLMNAMAPTTAAR1
SCHEMBL8359275 0.77 BAZ2B (0.73) PARP1BAZ2BLMNAMAPT
SCHEMBL14444082 0.75 NLN (0.64) PARP1BAZ2BLMNAMAPT
SCHEMBL8359720 0.75 PARP1 (0.56) PARP1BAZ2BLMNAMAPTKMT2A
SCHEMBL14444059 0.74 PARP1 (0.71) PARP1BAZ2BLMNAMAPTALDH1A1

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
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 — — US disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 — — US disclosed
WO-2003014121-A9 COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES GUILFORD PHARM INC (US) 2004-03-25 — — WO disclosed
WO-2003014121-A1 COMPOUNDS, DERIVATIVES, COMPOSITIONS, PREPARATION AND USES GUILFORD PHARMACEUTICALS INC. (US) 2003-02-20 — — WO disclosed
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