SCHEMBL6979653

SCHEMBL6979653

O=C1c2ccccc2C(=O)N1CCCOc1cc2c(=O)c(Cc3cccnc3)cn3c4cc(Br)ccc4c(c1)c23

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BACE1 P56817 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
CYP1B1 Q16678 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL6981737 0.87 GABRA1 (0.36) KMT2AGABRA1GABRA5KCNA5KCNJ5
SCHEMBL1961296 0.87 GABRA1 (0.36) KMT2AGABRA1GABRA5ALDH1A1GAA
Hydrochloric Acid SCHEMBL6977314 0.86 GABRA1 (0.36) KMT2AGABRA1GABRA5KCNA5KCNJ5
SCHEMBL6977199 0.85 GABRA1 (0.39) KMT2AMAPTGABRA1GABRA5ALDH1A1
Sulfuric Acid SCHEMBL6983443 0.84 GABRA1 (0.35) KMT2AGABRA1GABRA5KCNA5KCNJ5
SCHEMBL7668963 0.84 GABRA1 (0.36) KMT2AGABRA1GABRA5ALDH1A1GAA
SCHEMBL6981281 0.83 CYP19A1 (0.35) KMT2AGABRA1GABRA5
SCHEMBL7084095 0.83 GABRA1 (0.36) KMT2AGABRA1GABRA5KCNA5KCNJ5
Nitric Acid SCHEMBL6981278 0.83 CYP19A1 (0.35) KMT2AGABRA1GABRA5
SCHEMBL7084093 0.83 MCL1 (0.35) KMT2AGABRA1GABRA5ALDH1A1KDM4E

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