SCHEMBL6981401

SCHEMBL6981401

CC(=O)c1ccc2c(c1)c1cccc3c(=O)c(Cc4ccccc4)cn2c31

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.43
IL4I1 Q96RQ9 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
EGFR P00533 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 1/20 0.36
PLA2G4A P47712 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6979991 0.87 TSHR (0.43) ALDH1A1HPGDLMNAKDM4E
SCHEMBL6979184 0.82 EGFR (0.36) ALDH1A1HPGDLMNAKDM4EEGFR
SCHEMBL6977976 0.81 CNR2 (0.40) ALDH1A1HPGDKDM4E
SCHEMBL7668624 0.80 P2RX4 (0.47) ALDH1A1HPGDLMNAKDM4ETP53
SCHEMBL2610255 0.69 LMNA (0.50) ALDH1A1HPGDLMNAHDAC1HDAC8
SCHEMBL28389333 0.69 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EHDAC1HDAC6
SCHEMBL7666493 0.68 GABRA1 (0.40) LMNAKDM4E
SCHEMBL27691202 0.68 AKR1A1 (0.48) ALDH1A1LMNAKDM4ETP53
SCHEMBL6976243 0.67 CNR2 (0.52) ALDH1A1LMNATP53
SCHEMBL8581350 0.66 LMNA (0.61) LMNAIL4I1MAOB

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