SCHEMBL6978641

SCHEMBL6978641

COc1cc2c(=O)c(Cc3cncc(C)c3)cn3c4cc(Br)ccc4c(c1)c23

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
GABRA1 P14867 1/20 0.31
GABRA5 P31644 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL6971415 0.89 CYP11B1 (0.34) CYP11B1CYP11B2TOP2ATOP2BPIK3R1
SCHEMBL7084377 0.89 GABRA1 (0.32) CYP11B1CYP11B2TOP2ATOP2BGABRA1
SCHEMBL6980050 0.87 GABRA1 (0.39) CYP11B1CYP11B2GABRA1GABRA5KMT2A
SCHEMBL6976663 0.84 TSHR (0.40) TSHRMAPK1KMT2A
SCHEMBL7674354 0.83 GABRA1 (0.39) CYP11B1CYP11B2GABRA1GABRA5KMT2A
SCHEMBL6977175 0.79 GABRA1 (0.39) CYP11B1CYP11B2PIK3R1PIK3CAGABRA1
SCHEMBL6978385 0.78 CYP19A1 (0.37) PIK3R1PIK3CAGABRA1GABRA5TSHR
SCHEMBL6977199 0.77 GABRA1 (0.39) GABRA1GABRA5KMT2AFPR1FPR2
SCHEMBL6973743 0.76 PTGDR2 (0.31) GABRA1GABRA5
SCHEMBL6974311 0.75 GABRA1 (0.37) GABRA1GABRA5KMT2AFPR1FPR2

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