SCHEMBL5280599

SCHEMBL5280599

CCC(=O)ON1CN(c2ccccc2)c2cc(NC(=O)c3cccnc3Sc3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 2/20 0.43
KMT2A Q03164 5/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
P2RX7 Q99572 1/20 0.42
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 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
SCHEMBL12421965 0.68 KMT2A (0.46) SMN1; SMN2ATMKMT2ALMNAALDH1A1
SCHEMBL4009843 0.65 SMN1; SMN2 (0.49) SMN1; SMN2ATMKMT2ALMNAALDH1A1
SCHEMBL4004231 0.65 SMN1; SMN2 (0.47) SMN1; SMN2ATMKMT2ALMNAALDH1A1
SCHEMBL2291129 0.64 ATM (0.44) SMN1; SMN2ATMKMT2ALMNAALDH1A1
SCHEMBL2297391 0.64 ATM (0.44) SMN1; SMN2ATMKMT2ALMNAALDH1A1
SCHEMBL4003758 0.64 ROCK2 (0.51) SMN1; SMN2ATMKMT2ALMNAALDH1A1
SCHEMBL12420935 0.63 ATM (0.43) SMN1; SMN2ATMKMT2ALMNAALDH1A1
SCHEMBL10155060 0.63 BACE1 (0.63)
SCHEMBL2295833 0.61 ALDH1A1 (0.74) SMN1; SMN2ATMKMT2AALDH1A1KDM4E
SCHEMBL13359488 0.61 ATM (0.53) SMN1; SMN2ATMKMT2ALMNAALDH1A1

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
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed