SCHEMBL6979890

SCHEMBL6979890

O=C(O)COc1cc2c(=O)ccn3c4cc(Br)ccc4c(c1)c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.39
ALK Q9UM73 1/20 0.37
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGDR Q13258 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL6983135 0.91 PTGDR2 (0.39) CTRCPTGDR2ALKPOLBTSHR
SCHEMBL6978017 0.86 PSEN1 (0.43) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL6982970 0.81 GABRP (0.35) ALKTSHRTDP1
SCHEMBL7971630 0.79 EGLN1 (0.33) EGLN1
SCHEMBL6979976 0.79 SMN1; SMN2 (0.34) PTGDR2
SCHEMBL6971985 0.78 SMN1; SMN2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6981400 0.77 PSEN1 (0.39) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL6980950 0.77 MCL1 (0.42) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL7083107 0.74 IDO1 (0.33) TSHR
SCHEMBL8157787 0.74 MAOB (0.44)

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