SCHEMBL30752014

SCHEMBL30752014

NC(=O)Nc1ccccc1C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
KDM1A O60341 1/20 0.42
CETP P11597 1/20 0.41
MAPT P10636 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40

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
SCHEMBL30751987 0.93 HSD17B10 (0.58) HSD17B10KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5133970 0.84 HSD17B10 (0.50) HSD17B10KMT2AMEN1HTTSMN1; SMN2
SCHEMBL7515266 0.83 HSD17B10 (0.49) HSD17B10KMT2AMEN1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11161743 0.83 HSD17B10 (0.49) HSD17B10KMT2AMEN1HTTSMN1; SMN2
SCHEMBL11161739 0.83 HSD17B10 (0.49) HSD17B10KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5967461 0.82 HDAC3 (0.49) HSD17B10KMT2AMEN1HTTSMN1; SMN2
SCHEMBL5599211 0.82 HSD17B10 (0.51) HSD17B10KMT2AMEN1HTTSMN1; SMN2
SCHEMBL13326964 0.81 HSD17B10 (0.50) HSD17B10HTTSMN1; SMN2CCNE2CCNE1
SCHEMBL28104033 0.80 PTGDR2 (0.49) HSD17B10KMT2AMEN1HTTSMN1; SMN2
SCHEMBL15153201 0.79 ALDH1A1 (0.53) HSD17B10KMT2AMEN1HTTSMN1; SMN2

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
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 CN disclosed