SCHEMBL8169173

SCHEMBL8169173

O=C1COCc2cc(-c3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 6/20 0.49
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HSD17B1 P14061 2/20 0.45
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
APAF1 O14727 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
XBP1 P17861 1/20 0.44
PTBP1 P26599 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GALK1 P51570 1/20 0.44

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
SCHEMBL13469961 0.79 PRF1 (0.65) TDP2MAPTLMNAPRF1MAOA
SCHEMBL17875858 0.78 TDP2 (0.44) TDP2PARP10PARP11MEN1NPC1
SCHEMBL18489826 0.77 MAOA (0.54) CYP1A2NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL7584101 0.77 HSD17B1 (0.73) TDP2PARP10PARP11CYP1A2CYP11B1
SCHEMBL1745161 0.77 HSD17B1 (0.71) TDP2PARP10PARP11CYP1A2CYP11B1
SCHEMBL135207 0.75 MAOA (0.56) TDP2PARP10PARP11CYP1A2MEN1
SCHEMBL29452852 0.75 MAOA (0.56) TDP2PARP10PARP11CYP1A2MEN1
SCHEMBL21222886 0.74 HSD17B1 (0.68) TDP2PARP10PARP11CYP1A2CYP11B1
SCHEMBL8169279 0.73 METAP1 (0.44) TDP2PARP10PARP11MAPTLMNA
SCHEMBL21187227 0.73 ALDH1A1 (0.40) CYP1A2MEN1MAPTKMT2ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110910-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANTIRHEUMATIC AGENTS, ANTICARCINOGENIC AGENTS DUPONT PHARMACEUTICALS (US) 2000-08-29 US disclosed
US-5874441-A TREATMENT OF AUTOIMMUNE DISEASES, INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-23 US disclosed
US-5639759-A ORGAN TRANSPLANTATION; AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS; SKIN DISORDERS; ANTIARTHRITIC AGENTS; ANTICANCER AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-17 US disclosed
EP-0716652-A1 CARBOCYCLIC AND HETEROCYCLIC FUSED-RING QUINOLINECARBOXYLIC ACIDS USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-19 EP disclosed
US-5428040-A Carbocyclic fused-ring quinolinecarboxylic acids useful as immunosuppressive agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-27 US disclosed
WO-1995006640-A1 CARBOCYCLIC AND HETEROCYCLIC FUSED-RING QUINOLINECARBOXYLIC ACIDS USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-09 WO disclosed