SCHEMBL3128951

SCHEMBL3128951

Cc1ccc(-c2nc(C(=O)O)c(-c3ccccc3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.54
HPGD P15428 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TARBP2 Q15633 3/20 0.50
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 7/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 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
SCHEMBL4487202 0.91 IKBKB (0.56) IKBKBHPGDNPC1RAB9APOLB
SCHEMBL16072947 0.90 IKBKB (0.64) IKBKBHPGDNPC1RAB9ANFKB1
SCHEMBL3124515 0.88 IKBKB (0.65) IKBKBHPGDNPC1RAB9ANFKB1
SCHEMBL7701897 0.87 KDM4E (0.55) HPGDNPC1RAB9ANFKB1NFKB2
SCHEMBL7695337 0.85 IKBKB (0.55) IKBKBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7701209 0.84 NPC1 (0.51) IKBKBHPGDNPC1RAB9ANFKB1
SCHEMBL7699801 0.84 ALDH1A1 (0.51) IKBKBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL3127884 0.84 IKBKB (0.56) IKBKBHPGDNPC1RAB9APOLB
SCHEMBL7693588 0.82 KDM4E (0.65) HPGDNPC1RAB9ANFKB1NFKB2
SCHEMBL1166974 0.81 IKBKB (0.44) IKBKBHPGDNPC1RAB9APOLB

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
EP-2170849-A1 OXAZOLE TYROSINE KINASE INHIBITORS Sareum Limited (GB) 2010-04-07 EP disclosed
WO-2008139161-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2008-11-20 WO disclosed