SCHEMBL10995658

SCHEMBL10995658

O=Nc1ccc2c3c1CCCN3C(=O)CO2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CES1 P23141 1/20 0.30
HTT P42858 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL9845492 0.85
SCHEMBL9845446 0.81 LMNA (0.36) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10910689 0.80 HTR2A (0.37) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10910976 0.80 MEN1 (0.39) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10997214 0.80 L3MBTL1 (0.33) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10997207 0.78 LMNA (0.37) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10995825 0.77 KMT2A (0.36) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10911010 0.76 RAB9A (0.36) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9845439 0.74 LMNA (0.31) LMNAMEN1KMT2ASMN1; SMN2CES1
SCHEMBL10909271 0.72 CES1 (0.50) LMNAMEN1KMT2ACES1HTT

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
US-4537888-A Substituted benzoxazine derivatives and fungicidal use BAYER AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed
EP-0103797-A2 Substituted benzoxazine derivatives BAYER AG (DE) 1984-03-28 EP disclosed