SCHEMBL11216007

SCHEMBL11216007

NCc1ccc(OCC(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MAOB P27338 6/20 0.47
PARP10 Q53GL7 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
TBXAS1 P24557 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45

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
SCHEMBL10506137 0.87 MEN1 (0.58) MEN1KMT2APOLBBLMTDP1
SCHEMBL8138470 0.85 MAOB (0.50) MEN1KMT2APOLBBLMTDP1
SCHEMBL3371954 0.84 MEN1 (0.51) MEN1KMT2APOLBBLMTDP1
SCHEMBL1249954 0.84 ALOX15 (0.61) MEN1KMT2AMAPTMAOBTBXAS1
SCHEMBL11216005 0.82 MAOB (0.46) MAOBPARP10KEAP1NFE2L2ST14
SCHEMBL1480561 0.82 RXRA (0.53) KMT2ARAB9AMAPT
Hydrochloric Acid SCHEMBL3605426 0.82 ALOX15 (0.59) MEN1KMT2AMAPTMAOBTBXAS1
SCHEMBL14546296 0.82 MEN1 (0.47) MEN1KMT2APOLBBLMTDP1
SCHEMBL2798360 0.82 MEN1 (0.47) MEN1KMT2APOLBBLMTDP1
SCHEMBL23582938 0.81 PLA2G4B (0.55) MEN1KMT2ARAB9ATP53MAPT

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
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed