SCHEMBL7666540

SCHEMBL7666540

CSc1ccnc(C[O])c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.38
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
GRM4 Q14833 1/20 0.33
CYP1A2 P05177 3/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
GBA1 P04062 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL24295711 0.82 CYP1A2 (0.46) PTPRCPTPRFPTPN2PTPN1NOS3
SCHEMBL11628001 0.80 NOS3 (0.37) PTPRCPTPRFPTPN2PTPN1NOS3
SCHEMBL12670183 0.80 NOS3 (0.37) PTPRCPTPRFPTPN2PTPN1NOS3
SCHEMBL20928752 0.80 NOS3 (0.37) PTPRCPTPRFPTPN2PTPN1NOS3
SCHEMBL24713413 0.77 SLC6A4 (0.37) PTPRCPTPRFPTPN2PTPN1NOS3
SCHEMBL24713302 0.77 NOS3 (0.42) PTPRCPTPRFPTPN2PTPN1NOS3
SCHEMBL3301343 0.72
SCHEMBL510181 0.72
SCHEMBL18427398 0.72 CXCR4 (0.47) PTPRCSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL5641715 0.70

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