SCHEMBL6971415

SCHEMBL6971415

COc1cc2c(=O)c(Cc3cncnc3)cn3c4cc(Br)ccc4c(c1)c23

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
GSK3B P49841 1/20 0.31
QPCT Q16769 1/20 0.31
P2RX3 P56373 1/20 0.31
PDE1B Q01064 1/20 0.31
CYP19A1 P11511 1/20 0.31
PLA2G7 Q13093 1/20 0.30
PDK1 Q15118 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL6980050 0.89 GABRA1 (0.39) CYP11B1CYP11B2CYP19A1KMT2AMTNR1A
SCHEMBL6978641 0.89 CYP11B1 (0.33) CYP11B1CYP11B2TOP2ATOP2BPIK3R1
SCHEMBL6976663 0.87 TSHR (0.40) TSHRMAPK1KMT2A
SCHEMBL6973743 0.87 PTGDR2 (0.31)
SCHEMBL7674354 0.85 GABRA1 (0.39) CYP11B1CYP11B2CYP19A1KMT2AMTNR1A
SCHEMBL6981594 0.82 GABRA1 (0.37) KMT2A
SCHEMBL6977175 0.82 GABRA1 (0.39) CYP11B1CYP11B2PIK3R1PIK3CATSHR
SCHEMBL6977199 0.79 GABRA1 (0.39) KMT2A
SCHEMBL6978385 0.78 CYP19A1 (0.37) PIK3R1PIK3CACYP19A1PDK1TSHR
SCHEMBL7084377 0.77 GABRA1 (0.32) CYP11B1CYP11B2TOP2ATOP2B

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