SCHEMBL27487557

SCHEMBL27487557

CCOC(=O)C(N)c1cccc2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.39
NLRP3 Q96P20 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 3/20 0.39
P2RX7 Q99572 1/20 0.39
NSD2 O96028 1/20 0.39
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL1578636 0.85 MEN1 (0.43) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL1578367 0.83 MEN1 (0.42) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL6631895 0.80 MEN1 (0.45) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL27522882 0.80 KDM4E (0.52) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL283096 0.79 ALDH1A1 (0.50) KMT2AALDH1A1KDM4E
SCHEMBL15810094 0.76 MAPT (0.45) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL27504682 0.76 NCF1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL6176426 0.76 KDM4E (0.43) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL19441301 0.75 MEN1 (0.46) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL5669102 0.74 TSHR (0.54) MEN1KMT2AALDH1A1HTTNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1213040-C Serine protease inhibitors LILLY CO ELI (US) 2005-08-03 CN disclosed
CN-1438999-A Serine protease inhibitors LILLY CO ELI (US) 2003-08-27 CN disclosed