SCHEMBL4755523

SCHEMBL4755523

Cc1nc2c(O)cc(N3CCC3=O)cc2n1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.36
LMNA P02545 1/20 0.35
PIK3C2B O00750 1/20 0.34
TNIK Q9UKE5 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.31
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL4755173 0.92 LMNA (0.45) BRD9LMNATNIKMEN1KMT2A
SCHEMBL4753849 0.91 BRD9 (0.47) BRD9LMNAPIK3C2BTNIKMEN1
SCHEMBL4753246 0.74 HRH3 (0.40) MEN1KMT2A
SCHEMBL4755593 0.73 CYP3A4 (0.58)
SCHEMBL4755038 0.68 TRPV1 (0.37)
SCHEMBL3558933 0.68 KDM4E (0.49) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4755121 0.67 CYP3A4 (0.56) BRD9LMNAMEN1KMT2APKM
SCHEMBL4753629 0.67 BRD9 (0.41) BRD9LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6655920 0.66 CYP3A4 (0.46) LMNAMEN1KMT2AGLASMN1; SMN2
SCHEMBL4664696 0.66 CA12 (0.51) SMN1; SMN2

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
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed
WO-2008151927-A2 6-N-SUBSTITUTED BENZ IMIDAZOLE DERIVATIVES AS ACID PUMP ANTAGONISTS NYCOMED GMBH (DE) 2008-12-18 WO disclosed