SCHEMBL12635705

SCHEMBL12635705

CCn1c(CO)[n+](CC)c2ccc(-c3ccccc3OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.41
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
METAP2 P50579 2/20 0.37
HTR7 P34969 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35
ICMT O60725 4/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34

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
SCHEMBL12635743 0.73 HTR1D (0.39) HTR7KDM4EAPOBEC3AAPOBEC3G
SCHEMBL2020983 0.72 LMNA (0.50) TSPOABL1
SCHEMBL16120015 0.68 TSPO (0.67) TSPOKDM4E
SCHEMBL20209184 0.67 CASP3 (0.44) KDM4E
SCHEMBL12634882 0.67 KDM4E (0.34) KDM4EAPOBEC3AAPOBEC3G
Iodide SCHEMBL21196460 0.67 CASP3 (0.44) KDM4E
SCHEMBL20209590 0.65 MAPT (0.43) KDM4EAPOBEC3AAPOBEC3G
SCHEMBL11673547 0.65 NAAA (0.50) PTPRCPTPN1HTR7
SCHEMBL26659934 0.65 FYN (0.56) PTPRCPTPN1HTR7KDM4EAVPR2
SCHEMBL12636335 0.65 APOBEC3A (0.39) KDM4EAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed