SCHEMBL6868944

SCHEMBL6868944

Bc1ncccc1NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.56
NAMPT P43490 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ATR Q13535 1/20 0.44
TDP2 O95551 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP17A1 P05093 3/20 0.41
RAB9A P51151 1/20 0.41
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LCK P06239 1/20 0.40
PSMB8 P28062 1/20 0.39

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
SCHEMBL30668778 0.84 METAP1 (0.56) METAP1NAMPTRXFP1ATRTDP2
SCHEMBL15266282 0.84 METAP1 (0.56) METAP1NAMPTRXFP1ATRTDP2
SCHEMBL2392457 0.84 METAP1 (0.56) METAP1NAMPTRXFP1ATRTDP2
SCHEMBL3243855 0.84 METAP1 (0.56) METAP1NAMPTRXFP1ATRTDP2
SCHEMBL22556188 0.84 TDP1 (0.61) METAP1POLBLMNAMEN1KMT2A
SCHEMBL393203 0.83 METAP1 (0.55) METAP1NAMPTRXFP1ATRTDP2
SCHEMBL21567565 0.83 METAP1 (0.55) METAP1NAMPTRXFP1ATRTDP2
SCHEMBL1699207 0.83 ATR (0.56) METAP1ATRPOLBLMNAMEN1
SCHEMBL2363495 0.83 METAP1 (0.55) METAP1NAMPTRXFP1ATRTDP2
SCHEMBL1580424 0.83 METAP1 (0.55) METAP1NAMPTRXFP1ATRTDP2

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-2011119694-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed