SCHEMBL6981552

SCHEMBL6981552

Cc1cc2c3c(c1)c1cc(Br)ccc1n3CCC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
SRD5A1 P18405 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK8 P45983 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
DNMT1 P26358 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32

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
SCHEMBL6970805 0.84 PDK1 (0.36) KMT2AMEN1ALDH1A1PIK3CAMAPT
SCHEMBL6977937 0.81 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6969812 0.73 APP (0.34) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL6982156 0.72 VHL (0.39) ALDH1A1MAPTLMNAHTTDNMT1
SCHEMBL6971863 0.72 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SRD5A1MAPT
SCHEMBL6974128 0.68 PER2 (0.36) KDM4ENPC1RAB9A
SCHEMBL6981782 0.68 HTR2A (0.39) ALDH1A1MAPTLMNANPSR1HSD17B10
SCHEMBL13703643 0.68 BAZ2B (0.35) KMT2AMEN1ALDH1A1PIK3CDPIK3CA
SCHEMBL6983610 0.67 HTR6 (0.37) KMT2AMEN1ALDH1A1SRD5A1MAPT
SCHEMBL8152607 0.67 LMNA (0.36) KMT2AMEN1PIK3CAMAPTLMNA

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