SCHEMBL28630499

SCHEMBL28630499

NC(=O)c1cc(OC2CCO2)c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
POLB P06746 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.40
PARP1 P09874 1/20 0.39
CTPS1 P17812 1/20 0.39
CYP3A4 P08684 1/20 0.38
HCAR3 P49019 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
VCAM1 P19320 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
SCHEMBL28634248 0.83 PDE4D (0.44) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL21157504 0.83 PDE4D (0.44) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL21158083 0.83 PDE4D (0.44) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL28561966 0.82 KMT2A (0.47) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL21157492 0.81 POLB (0.41) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL29898969 0.81 POLB (0.41) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL22121068 0.78 KMT2A (0.42) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL30803074 0.76 PARP15 (0.46) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL28308732 0.76 PARP15 (0.46) KMT2APOLBLMNASMN1; SMN2MAPT
SCHEMBL19436450 0.76 MAPT (0.50) KMT2APOLBLMNASMN1; SMN2MAPT

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-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed