SCHEMBL7669195

SCHEMBL7669195

COc1cc2c3c(c1)c(=O)c(Cc1cccnc1)cn3-c1ccc(Br)cc1S2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRA5 P31644 2/20 0.37
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
CASR P41180 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
LRRK2 Q5S007 1/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL7671382 0.93 ALDH1A1 (0.36) GABRA1GABRA5FPR1FPR2CASR
SCHEMBL7672580 0.91 PKM (0.36) FPR1FPR2ALDH1A1MAPTHTT
SCHEMBL7674409 0.88 PLA2G7 (0.32) FPR1FPR2MEN1KMT2ACYP1A2
SCHEMBL7672495 0.87 FPR1 (0.35) GABRA1GABRA5FPR1FPR2CNR2
SCHEMBL7664000 0.84 LTA4H (0.45) KDM4EGAAMEN1KMT2A
SCHEMBL7662129 0.84 PKM (0.36) FPR1FPR2ALDH1A1MAPTLRRK2
SCHEMBL7669105 0.83 PTGDR2 (0.31) CYP11B1CYP11B2
SCHEMBL7674089 0.83 PTK2 (0.32)
SCHEMBL7669032 0.82 LRRK2 (0.35) ALDH1A1MAPTMAPK1HTTLRRK2
SCHEMBL7674095 0.82 MEN1 (0.30) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed