SCHEMBL6979202

SCHEMBL6979202

O=c1c(Cc2ccccc2)cn2c3cc(Br)ccc3c3cc(O)cc1c32

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.37
IDH1 O75874 1/20 0.35
PARP1 P09874 2/20 0.34
EGLN1 Q9GZT9 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KRAS P01116 1/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
ALOX5 P09917 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 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
SCHEMBL6977489 0.87 GABRA1 (0.41) ALDH1A1
SCHEMBL6976663 0.86 TSHR (0.40) IDH1ALDH1A1
SCHEMBL6973743 0.86 PTGDR2 (0.31)
SCHEMBL7668290 0.83 GABRA1 (0.41) ALDH1A1
SCHEMBL7084377 0.82 GABRA1 (0.32) TOP2ATOP2B
SCHEMBL6979201 0.79 GABRA1 (0.41) ALDH1A1KRAS
SCHEMBL6972004 0.78 EGLN1 (0.34) EGLN1ALDH1A1
SCHEMBL6977199 0.76 GABRA1 (0.39) ALDH1A1
SCHEMBL6974311 0.76 GABRA1 (0.37) ALDH1A1
SCHEMBL8153648 0.76 VKORC1 (0.40) ALDH1A1

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