SCHEMBL8285642

SCHEMBL8285642

O=C(O)c1cccc(C(=O)O)c1Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.60
FABP4 P15090 1/20 0.60
MAPT P10636 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
DHODH Q02127 1/20 0.55
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 2/20 0.54
GFER P55789 1/20 0.52
NGLY1 Q96IV0 1/20 0.52
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX12 P18054 1/20 0.48
LMNA P02545 1/20 0.47
CLCN2 P51788 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
TSHR P16473 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL2406195 0.89 MAPT (0.62) CXCR2FABP4MAPTMEN1KMT2A
SCHEMBL29220911 0.88 FABP4 (0.68) CXCR2FABP4MAPTMEN1KMT2A
SCHEMBL3636604 0.87 KMT2A (0.54) CXCR2FABP4MAPTMEN1KMT2A
SCHEMBL11542345 0.87 CXCR2 (0.53) CXCR2FABP4MAPTMEN1KMT2A
SCHEMBL3364068 0.87 POLB (0.60) CXCR2FABP4MAPTMEN1KMT2A
SCHEMBL11543358 0.87 ALDH1A1 (0.57) CXCR2FABP4MAPTMEN1KMT2A
SCHEMBL2445505 0.84 CXCR2 (0.46) CXCR2FABP4MAPTMEN1KMT2A
SCHEMBL17060022 0.84 CYP3A4 (0.60) CXCR2MEN1KMT2AALDH1A1GFER
SCHEMBL17350393 0.82 CXCR2 (0.49) CXCR2FABP4MAPTMEN1KMT2A
SCHEMBL6269693 0.82 MAPT (0.49) CXCR2FABP4MAPTMEN1KMT2A

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 5 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-2005053609-A2 METHODS OF NAD+-DEPENDENT DEACETYLASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2005-06-16 WO 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