SCHEMBL6981737

SCHEMBL6981737

NCCCOc1cc2c(=O)c(Cc3cccnc3)cn3c4cc(Br)ccc4c(c1)c23

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
PLA2G7 Q13093 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2A6 P11509 1/20 0.32
KCNA5 P22460 3/20 0.32
KCNJ5 P48544 2/20 0.32
KCNJ3 P48549 2/20 0.32
LTA4H P09960 1/20 0.32
TBXAS1 P24557 1/20 0.32
PTAFR P25105 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
SCHEMBL1961296 0.91 GABRA1 (0.36) GABRA1GABRA5MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6977314 0.91 GABRA1 (0.36) GABRA1GABRA5MEN1KMT2ACYP1A2
SCHEMBL6977199 0.89 GABRA1 (0.39) GABRA1GABRA5MEN1KMT2ACYP1A2
Sulfuric Acid SCHEMBL6983443 0.88 GABRA1 (0.35) GABRA1GABRA5MEN1KMT2ACYP1A2
SCHEMBL7668963 0.88 GABRA1 (0.36) GABRA1GABRA5MEN1KMT2ACYP1A2
SCHEMBL7084095 0.88 GABRA1 (0.36) GABRA1GABRA5MEN1KMT2ACYP1A2
SCHEMBL6981281 0.88 CYP19A1 (0.35) GABRA1GABRA5MEN1KMT2ACYP1A2
SCHEMBL7084093 0.87 MCL1 (0.35) GABRA1GABRA5MEN1KMT2ACYP1A2
SCHEMBL6979653 0.87 RAB9A (0.38) GABRA1GABRA5KMT2AKCNA5KCNJ5
Nitric Acid SCHEMBL6981278 0.87 CYP19A1 (0.35) GABRA1GABRA5MEN1KMT2ACYP1A2

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