SCHEMBL7088955

SCHEMBL7088955

O=c1c(Cn2cncn2)cn2c3ccc(Br)cc3c3cc(O)cc1c32

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CYP19A1 P11511 10/20 0.34
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
TBXAS1 P24557 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL6981361 0.87 CYP19A1 (0.44) CYP19A1LMNA
SCHEMBL7084154 0.87 CYP19A1 (0.36) CYP19A1HDAC1HDAC6TBXAS1LMNA
SCHEMBL6979201 0.75 GABRA1 (0.41) TBXAS1
SCHEMBL6981368 0.74 LMNA (0.38) LMNA
SCHEMBL6978516 0.73 TOP2A (0.38)
SCHEMBL6973743 0.71 PTGDR2 (0.31)
SCHEMBL8936696 0.68 BRD4 (0.51) BRD4CYP19A1HDAC1HDAC6
SCHEMBL6979202 0.67 HSD17B3 (0.37)
SCHEMBL6977489 0.67 GABRA1 (0.41) CYP19A1TBXAS1
SCHEMBL6978232 0.66 CHEK1 (0.36) HDAC1HDAC6LMNA

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