SCHEMBL19969099

SCHEMBL19969099

NC(=O)CC[C@H](N)c1noc(CNC(=O)N[C@@H](CO)C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.39
CD274 Q9NZQ7 1/20 0.39
TGFBR1 P36897 1/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 2/20 0.31
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
FOLH1 Q04609 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL21168306 0.93 KMT2A (0.36) VSIRCD274CA2CA1MAPT
SCHEMBL24058479 0.91 VSIR (0.43) VSIRCD274CA2CA1MAPT
SCHEMBL21168304 0.90 FOLH1 (0.42) FOLH1
SCHEMBL20057150 0.90 VSIR (0.36) VSIRCD274TGFBR1MAPTKMT2A
SCHEMBL21999116 0.89 VSIR (0.36) VSIRCD274CA2CA1MAPT
SCHEMBL21168302 0.89 FOLH1 (0.37) VSIRCD274CA2CA1KMT2A
SCHEMBL20057085 0.89 VSIR (0.43) VSIRCD274TGFBR1CA2CA1
SCHEMBL20057136 0.89 VSIR (0.43) VSIRCD274TGFBR1CA2CA1
SCHEMBL24058535 0.89 VSIR (0.43) VSIRCD274TGFBR1CA2CA1
SCHEMBL25477024 0.89 VSIR (0.35) VSIRCD274CA2CA1MAPT

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
WO-2018047139-A1 COMPOUNDS AS MODULATORS OF TIGIT SIGNALLING PATHWAY AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 WO disclosed