SCHEMBL452166

SCHEMBL452166

CCCCOC(=O)NC(C)N(Cc1cncn1C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
CYP26A1 O43174 1/20 0.35
ACE P12821 2/20 0.35
ACE2 Q9BYF1 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
CTSK P43235 2/20 0.35
EGFR P00533 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
HRH4 Q9H3N8 2/20 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
SCHEMBL15124462 0.84 FNTA (0.41) FNTAFNTBPGGT1BACECTSK
SCHEMBL452165 0.80 FNTA (0.46) FNTAFNTBPGGT1BNPC1RAB9A
SCHEMBL4686868 0.74 ITGB3 (0.43) ACEACE2HRH3HRH4
SCHEMBL4686872 0.67 HRH3 (0.39) NPC1RAB9ASMN1; SMN2HPGDHRH3
SCHEMBL8932530 0.65 FAAH (0.51) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL15201783 0.65 MME (0.61) ACEACE2
SCHEMBL9936982 0.65 MME (0.61) ACEACE2
SCHEMBL2356601 0.64 CYP3A4 (0.50) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL8932501 0.64 HDAC1 (0.59) ACEACE2RAB9AALDH1A1
SCHEMBL9317172 0.63 POLB (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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-2012034038-A2 DUAL INHIBITORS OF FARNESYLTRANSFERASE AND GERANYLGERANYLTRANSFERASE I H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-03-15 WO disclosed