SCHEMBL5544896

SCHEMBL5544896

Cc1cccc(C(=O)NC2=NCC3=CN(S(=O)(=O)c4cccc(C)c4)CCC3=N2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PABPC1 P11940 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ALB P02768 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
RAB9A P51151 3/20 0.40
G6PD P11413 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL5540828 0.85 MAPT (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5548545 0.83 SIRT2 (0.42) MEN1KMT2AMAPTSMN1; SMN2ALB
SCHEMBL5546854 0.77 CYP2C19 (0.40) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL5546624 0.73 CYP11B1 (0.40) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL5544889 0.72 ALDH1A1 (0.46) MEN1KMT2APABPC1APOBEC3AAPOBEC3G
SCHEMBL5545059 0.72 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2GAATSHR
SCHEMBL5545053 0.70 GRM5 (0.39) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL5544949 0.65 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL3526575 0.64 PPARG (0.52) MEN1KMT2APABPC1APOBEC3AAPOBEC3G
SCHEMBL2925329 0.62 MEN1 (0.45) MEN1KMT2APABPC1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed