SCHEMBL6970805

SCHEMBL6970805

COc1cc2c3c(c1)c1cc(Br)ccc1n3CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
TSPO P30536 1/20 0.34
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 2/20 0.34
HTR6 P50406 2/20 0.34
MAPT P10636 2/20 0.34
APAF1 O14727 1/20 0.34
PABPC1 P11940 1/20 0.34
PKM P14618 1/20 0.34
IDO1 P14902 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 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
SCHEMBL6969812 0.90 APP (0.34) PDK1ALDH1A1CCNB2CDK1CCNB1
SCHEMBL6971863 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTR6MAPT
SCHEMBL7667134 0.86 TUBB4A (0.33) PDK1ALDH1A1MEN1KMT2ACCNB2
SCHEMBL6974128 0.85 PER2 (0.36) HTR6RAB9A
SCHEMBL6981782 0.85 HTR2A (0.39) ALDH1A1GSK3BHTR6MAPTAPAF1
SCHEMBL6982697 0.84 TUBB4A (0.42) ALDH1A1MEN1KMT2AGSK3BMAPT
SCHEMBL6981552 0.84 KMT2A (0.39) ALDH1A1MEN1KMT2APIK3CAMAPT
SCHEMBL6983610 0.83 HTR6 (0.37) ALDH1A1MEN1KMT2AHTR6MAPT
SCHEMBL6978242 0.80 ACHE (0.39) PDK1ALDH1A1MEN1KMT2ACCNB2
SCHEMBL6977937 0.78 MEN1 (0.40) ALDH1A1MEN1KMT2ACCNB2CDK1

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