SCHEMBL6972543

SCHEMBL6972543

CC1Cn2c3ccc(Cl)cc3c3cccc(c32)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.34
NTRK1 P04629 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL6982876 0.75 MAPT (0.36) DNMT1KDM4EALDH1A1HPGDKMT2A
SCHEMBL6975209 0.69 ACHE (0.42) KDM4EALDH1A1HPGDKMT2ANTRK1
SCHEMBL6139483 0.68 PARP1 (0.40) ACHESMN1; SMN2
SCHEMBL6978242 0.67 ACHE (0.39) ALDH1A1KMT2AMEN1RAB9AACHE
SCHEMBL6982156 0.66 VHL (0.39) DNMT1KDM4EALDH1A1HPGDATM
SCHEMBL6974173 0.63 MGLL (0.39) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL67634 0.63 CYP11B1 (0.38) KMT2ACYP11B1CYP11B2
SCHEMBL6980130 0.63 EGFR (0.44) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL6982973 0.62 JAK3 (0.38) JAK3
SCHEMBL6981782 0.62 HTR2A (0.39) KDM4EALDH1A1HPGDRAB9AHTR2A

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