SCHEMBL6978385

SCHEMBL6978385

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
NQO2 P16083 1/20 0.37
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NPM1 P06748 1/20 0.33
ALK Q9UM73 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
STING1 Q86WV6 1/20 0.33
HTR6 P50406 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32

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
SCHEMBL6975262 0.90 PIK3R1 (0.38) CYP19A1NQO2KMT2ATSHRMAPK1
SCHEMBL6972004 0.84 EGLN1 (0.34) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL6978311 0.82 L3MBTL1 (0.44) CYP19A1NQO2KMT2AALDH1A1MAPT
SCHEMBL6976663 0.81 TSHR (0.40) KMT2ATSHRMAPK1ALDH1A1LMNA
SCHEMBL6982970 0.80 GABRP (0.35) CYP19A1NQO2KMT2ATSHRMAPK1
SCHEMBL6971415 0.78 CYP11B1 (0.34) CYP19A1KMT2ATSHRMAPK1PIK3R1
SCHEMBL6978641 0.78 CYP11B1 (0.33) KMT2ATSHRMAPK1PIK3R1PIK3CA
SCHEMBL6980050 0.76 GABRA1 (0.39) CYP19A1KMT2AALDH1A1MAPTMEN1
SCHEMBL6979851 0.75 LMNA (0.41) KMT2AALDH1A1MEN1SMN1; SMN2LMNA
SCHEMBL6976246 0.74 ALDH1A1 (0.50) TSHRALDH1A1LMNAKDM4E

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