SCHEMBL7646131

SCHEMBL7646131

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 8/20 0.75
KRAS P01116 1/20 0.75
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MPO P05164 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
HIF1A Q16665 1/20 0.60
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
HTT P42858 2/20 0.55

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
SCHEMBL27798635 1.00 SOS1 (0.75) SOS1KRASKMT2AMEN1LMNA
SCHEMBL9825896 1.00 SOS1 (0.75) SOS1KRASKMT2AMEN1LMNA
SCHEMBL7649209 0.94 SOS1 (0.80) SOS1KRASKMT2AMEN1LMNA
SCHEMBL27798619 0.94 SOS1 (0.80) SOS1KRASKMT2AMEN1LMNA
SCHEMBL7623409 0.86 SOS1 (0.69) SOS1KRASKMT2AMEN1LMNA
SCHEMBL7675962 0.86 MMP2 (0.63) SOS1KRASKMT2AMEN1LMNA
SCHEMBL20805200 0.86 SOS1 (1.00) SOS1KRAS
SCHEMBL28799369 0.84 SOS1 (0.56) SOS1KRASKMT2AMEN1LMNA
SCHEMBL28799370 0.84 SOS1 (0.56) SOS1KRASKMT2AMEN1LMNA
SCHEMBL21841550 0.82 SOS1 (0.63) SOS1KRASKMT2AMEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932560-A Matrix metalloproteinase inhibitors, pharmaceutical compositions containing them and their use POISON MED INST PLA MED ACAD 2010-12-29 CN disclosed
US-6475985-B1 Nucleosides with antiviral and anticancer activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-11-05 US disclosed
WO-1999049873-A1 NUCLEOSIDES WITH ANTIVIRAL AND ANTICANCER ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1999-10-07 WO disclosed