SCHEMBL6979997

SCHEMBL6979997

CS(=O)(=O)OCCCOc1cc2c(=O)c(Cc3cccnc3)cn3c4cc(Cl)ccc4c(c1)c23

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.42
PLA2G7 Q13093 3/20 0.37
GABRA5 P31644 3/20 0.36
GABRA1 P14867 2/20 0.36
MAT2A P31153 3/20 0.35
GRM2 Q14416 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
SCHEMBL6975041 0.91 PTGDR2 (0.34) MCL1PLA2G7GRM2
SCHEMBL7084095 0.91 GABRA1 (0.36) MCL1PLA2G7GABRA5GABRA1GRM2
SCHEMBL6979995 0.90 MCL1 (0.44) MCL1PLA2G7MAT2A
SCHEMBL6983342 0.89 MAT2A (0.44) MCL1PLA2G7GABRA5GABRA1MAT2A
SCHEMBL6976290 0.88 GRIN1 (0.33) MCL1GABRA5GABRA1
SCHEMBL6977996 0.88 MCL1 (0.39) MCL1PLA2G7GABRA5GABRA1MAT2A
Hydrochloric Acid SCHEMBL6973682 0.87 MCL1 (0.39) MCL1PLA2G7GABRA5GABRA1MAT2A
SCHEMBL6975039 0.80 TBXAS1 (0.36) MCL1GRM2
SCHEMBL7084093 0.80 MCL1 (0.35) MCL1GABRA5GABRA1
SCHEMBL6976288 0.79 MMP1 (0.35) MCL1

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 5 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-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP 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