SCHEMBL6981361

SCHEMBL6981361

COc1cc2c(=O)c(Cn3cncn3)cn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.44
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSK3B P49841 1/20 0.33
QPCT Q16769 1/20 0.33
MAOA P21397 1/20 0.31
LMNA P02545 1/20 0.31
ELANE P08246 2/20 0.31
PDK1 Q15118 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7084154 0.90 CYP19A1 (0.36) CYP19A1LMNA
SCHEMBL7088955 0.87 BRD4 (0.35) CYP19A1LMNA
SCHEMBL6975262 0.77 PIK3R1 (0.38) CYP19A1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL6977175 0.76 GABRA1 (0.39) PIK3R1PIK3CAALDH1A1MAPTTSHR
SCHEMBL6981607 0.75 KDM4E (0.40) PIK3R1PIK3CAALDH1A1MAPTTSHR
SCHEMBL6971415 0.73 CYP11B1 (0.34) CYP19A1PIK3R1PIK3CAGSK3BQPCT
SCHEMBL6979263 0.72 LMNA (0.60) ALDH1A1MAPTSMN1; SMN2LMNAELANE
SCHEMBL6976246 0.72 ALDH1A1 (0.50) ALDH1A1LMNATSHR
SCHEMBL6976663 0.69 TSHR (0.40) ALDH1A1LMNATSHRMAPK1KMT2A
SCHEMBL6980050 0.69 GABRA1 (0.39) CYP19A1ALDH1A1MAPTKMT2A

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