SCHEMBL1765845

SCHEMBL1765845

C[C](C)c1cccc2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.61
MMP2 P08253 2/20 0.55
TSHR P16473 2/20 0.55
CHRM1 P11229 1/20 0.55
COMT P21964 1/20 0.55
ADRA1A P35348 1/20 0.55
METAP2 P50579 1/20 0.55
METAP1 P53582 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 3/20 0.54
NFKB1 P19838 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL28879817 0.84 PARP1 (0.58) PARP1MMP2TSHRCHRM1COMT
SCHEMBL2632726 0.84 PARP1 (0.68) PARP1MMP2TSHRCHRM1COMT
SCHEMBL30144797 0.84 PARP1 (0.68) PARP1MMP2TSHRCHRM1COMT
SCHEMBL15219649 0.81 PARP1 (0.54) PARP1MMP2TSHRCHRM1COMT
SCHEMBL28050846 0.79 PARP1 (0.72) PARP1MMP2TSHRCHRM1COMT
SCHEMBL5242510 0.78 PARP1 (0.59) PARP1MMP2TSHRCHRM1COMT
SCHEMBL29749881 0.78 PARP1 (0.70) PARP1MMP2TSHRCHRM1COMT
SCHEMBL111826 0.78 PARP1 (0.70) PARP1MMP2TSHRCHRM1COMT
SCHEMBL9701377 0.77 PARP1 (0.58) PARP1MMP2TSHRCHRM1COMT
SCHEMBL15866503 0.76 PARP1 (0.68) PARP1MMP2TSHRCHRM1COMT

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
EP-2464349-A2 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES Cerenis Therapeutics S.A. (FR) 2012-06-20 EP disclosed
WO-2011020001-A9 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES CERENIS THERAPEUTICS S.A. (FR) 2011-05-26 WO disclosed
WO-2011020001-A2 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES CERENIS THERAPEUTICS S.A. (FR) 2011-02-17 WO disclosed
WO-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed