SCHEMBL6981607

SCHEMBL6981607

COc1cc2c(=O)c(Cc3ccccn3)cn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
PLA2G2A P14555 2/20 0.36
ALDH1A1 P00352 3/20 0.36
AGTR1 P30556 1/20 0.36
HRH1 P35367 2/20 0.35
HTR6 P50406 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ACHE P22303 1/20 0.34
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
TP53 P04637 1/20 0.33
TSPO P30536 1/20 0.33

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
SCHEMBL6978516 0.87 TOP2A (0.38) KDM4ETOP2ATOP2BALDH1A1AGTR1
SCHEMBL6983337 0.84 PSEN1 (0.34) KDM4EGLATOP2ATOP2BPLA2G2A
SCHEMBL6977175 0.82 GABRA1 (0.39) ALDH1A1GAAMAPTTSHRCNR1
SCHEMBL6976663 0.77 TSHR (0.40) PLA2G2AALDH1A1TSHRCNR2
SCHEMBL6975262 0.77 PIK3R1 (0.38) KDM4EALDH1A1MAPTTSHRACHE
SCHEMBL6981361 0.75 CYP19A1 (0.44) ALDH1A1MAPTTSHRPIK3R1PIK3CA
SCHEMBL6983481 0.75 GABRA1 (0.38) KDM4EALDH1A1GAAMAPTTSHR
SCHEMBL6980050 0.74 GABRA1 (0.39) ALDH1A1GAAMAPTCNR1CNR2
SCHEMBL6982487 0.74 LRRK2 (0.38) ALDH1A1MAPTACHE
SCHEMBL6979179 0.74 GABRA1 (0.39) ALDH1A1MAPT

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