SCHEMBL8198536

SCHEMBL8198536

COCCN(C)c1ncc(C(C)=O)s1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 8/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
DGAT1 O75907 2/20 0.37
ACACB O00763 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NAMPT P43490 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL2792610 0.75 ALDH1A1 (0.34) TMPRSS15ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL25410152 0.71 TMPRSS15 (0.59) TMPRSS15CYP1A2
SCHEMBL18674616 0.71 RAB9A (0.41) ALDH1A1HPGDKDM4EHSD17B10RAB9A
SCHEMBL25408977 0.70 TMPRSS15 (0.60) TMPRSS15ALDH1A1HPGDRAB9A
SCHEMBL24348890 0.69 MAPK14 (0.55) TMPRSS15ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL28745220 0.69 DGAT1 (0.40) ALDH1A1HPGDKDM4EHSD17B10DGAT1
SCHEMBL12410015 0.68 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2LMNACYP2C9
SCHEMBL27259611 0.68 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL17607366 0.68 HCAR2 (0.47) TMPRSS15ALDH1A1KDM4EHSD17B10
SCHEMBL16332917 0.68 HTR2C (0.40) ALDH1A1HPGDKDM4EHSD17B10DGAT1

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-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed