SCHEMBL6980950

SCHEMBL6980950

CC(C)OC(=O)COc1cc2c(=O)ccn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6971985 0.87 SMN1; SMN2 (0.43) MCL1PSEN1PSEN2APH1BNCSTN
SCHEMBL6983135 0.86 PTGDR2 (0.39) MCL1POLBKDM4ETDP1DNMT1
SCHEMBL6981400 0.86 PSEN1 (0.39) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL6979976 0.83 SMN1; SMN2 (0.34) MAPTALDH1A1LMNAPPARGPPARA
SCHEMBL8157626 0.78 POLB (0.36) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL7083107 0.78 IDO1 (0.33) MAPTLMNAPPARGPPARATSHR
SCHEMBL6982438 0.78 PIK3R1 (0.39) MCL1MAPTALDH1A1HPGDKDM4E
SCHEMBL6979890 0.77 CTRC (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8157787 0.75 MAOB (0.44) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL6982874 0.75 MCL1 (0.36) MCL1MAPTRXFP1PSEN1PSEN2

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-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed