SCHEMBL6981400

SCHEMBL6981400

CC(C)(C)OC(=O)COc1cc2c(=O)ccn3c4ccc(Br)cc4c(c1)c23

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNFRSF1A P19438 1/20 0.37
IDO1 P14902 3/20 0.34
PTPN1 P18031 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 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
SCHEMBL6978017 0.92 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6971985 0.87 SMN1; SMN2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6983135 0.86 PTGDR2 (0.39) POLBKDM4EPTGDR2
SCHEMBL6980950 0.86 MCL1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6979976 0.85 SMN1; SMN2 (0.34) MAPTLMNANPSR1IDO1ALDH1A1
SCHEMBL6984474 0.85 TNFRSF1A (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8157626 0.78 POLB (0.36) MAPTLMNAPOLBNPSR1KDM4E
SCHEMBL6983337 0.78 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7083107 0.78 IDO1 (0.33) MAPTLMNAIDO1
SCHEMBL6982438 0.78 PIK3R1 (0.39) MAPTHPGDNPSR1IDO1KDM4E

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
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