SCHEMBL30501946

SCHEMBL30501946

CNC(=O)c1cc(OCc2ccccc2)c2nc(C)n(Cc3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
PTGER1 P34995 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DCTPP1 Q9H773 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
SMPD1 P17405 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PPARG P37231 1/20 0.41
TOP2A P11388 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
TNF P01375 1/20 0.41
PDE10A Q9Y233 1/20 0.41
RORC P51449 1/20 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
SCHEMBL30501981 0.85 BRD4 (0.48) BRD4SMN1; SMN2DCTPP1TNF
SCHEMBL18372654 0.79 TNF (0.47) BRD4SMN1; SMN2PTGER1MEN1KMT2A
SCHEMBL30501926 0.79 TNF (0.47) BRD4SMN1; SMN2PTGER1MEN1KMT2A
Dimethylamine SCHEMBL4774301 0.78 TOP2A (0.40) MEN1KMT2ATOP2A
SCHEMBL7965582 0.76 TNF (0.55) BRD4MEN1KMT2ADCTPP1TNF
SCHEMBL4666497 0.76 BRD4 (0.47) BRD4SMN1; SMN2HDAC1HDAC6SMPD1
SCHEMBL5901935 0.75 HPGD (0.51) SMN1; SMN2MEN1KMT2AHDAC1HDAC6
SCHEMBL31513743 0.73 F2 (0.46) BRD4KMT2ADCTPP1HDAC1HDAC6
SCHEMBL16371378 0.73 TSHR (0.46) SMN1; SMN2DCTPP1TNF
SCHEMBL16371738 0.73 TSHR (0.46) SMN1; SMN2KMT2ADCTPP1

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-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN disclosed