SCHEMBL19308367

SCHEMBL19308367

CCc1cc(N2CCOC2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 2/20 0.44
HTT P42858 2/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 12/20 0.40
SIRT6 Q8N6T7 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL16704191 0.84 HPGD (0.56) CMA1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL14580058 0.81 ATM (0.45) CMA1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL31347244 0.81 ATM (0.45) CMA1LMNAHPGDSMN1; SMN2MAPT
SCHEMBL30884547 0.81 LMNA (0.60) CMA1HTTLMNASMN1; SMN2MAPT
SCHEMBL29208209 0.81 LMNA (0.60) CMA1HTTLMNASMN1; SMN2MAPT
SCHEMBL9776285 0.80 MAPT (0.50) CMA1HTTLMNAMAPTALDH1A1
SCHEMBL19308392 0.79 CCNC (0.41) CMA1MAPTALDH1A1
SCHEMBL8919351 0.78 MAPT (0.49) CMA1HTTLMNASMN1; SMN2MAPT
SCHEMBL9776304 0.78 KAT2B (0.49) CMA1SMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL11259287 0.78 SIRT6 (0.56) HTTLMNAHPGDSMN1; 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
US-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed