SCHEMBL6977937

SCHEMBL6977937

O=C1CCn2c3ccc(Br)cc3c3cccc1c32

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
TNNI3 P19429 1/20 0.35
HTT P42858 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35
TLR9 Q9NR96 1/20 0.35
GSK3B P49841 4/20 0.34
CCNB2 O95067 3/20 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
SCHEMBL6982876 0.83 MAPT (0.36) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6981939 0.82 PIM1 (0.42) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL6981552 0.81 KMT2A (0.39) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6971871 0.79 MAPT (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL6970805 0.78 PDK1 (0.36) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7670693 0.77 SMARCA4 (0.41) ALDH1A1KDM4EHPGDHSD17B10PABPC1
SCHEMBL6983511 0.72 TUBB4A (0.42) MEN1KMT2AALDH1A1MAPTCYP1A1
SCHEMBL6982969 0.70 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12181361 0.69 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL13851541 0.69 MEN1 (0.61) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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