SCHEMBL6983135

SCHEMBL6983135

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.39
CTRC Q99895 1/20 0.37
MCL1 Q07820 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALK Q9UM73 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
DNMT1 P26358 1/20 0.35
PLA2G4A P47712 1/20 0.35
PLA2G2A P14555 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL6979890 0.91 CTRC (0.39) PTGDR2CTRCTDP1POLBTSHR
SCHEMBL6979976 0.88 SMN1; SMN2 (0.34) PTGDR2
SCHEMBL6971985 0.87 SMN1; SMN2 (0.43) MCL1POLBL3MBTL1KDM4EMEN1
SCHEMBL6981400 0.86 PSEN1 (0.39) PTGDR2POLBKDM4E
SCHEMBL6980950 0.86 MCL1 (0.42) PTGDR2MCL1TDP1POLBTSHR
SCHEMBL8157787 0.84 MAOB (0.44) MEN1KMT2A
SCHEMBL7083107 0.84 IDO1 (0.33) TSHR
SCHEMBL8157626 0.82 POLB (0.36) POLBKDM4EMEN1KMT2ADNMT1
SCHEMBL6975925 0.81 PTGDR2 (0.41) PTGDR2MCL1TDP1KDM4EMEN1
SCHEMBL6982438 0.81 PIK3R1 (0.39) MCL1TDP1TSHRL3MBTL1KDM4E

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
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-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP 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