SCHEMBL7874522

SCHEMBL7874522

CC(=O)NC1=CCC(O)C(Cl)=C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
NAMPT P43490 1/20 0.32
RORC P51449 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
PTK2 Q05397 1/20 0.31
TYK2 P29597 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL17733595 0.67 NAMPT (0.33) HSP90AA1HSP90AB1GAANAMPT
SCHEMBL17733614 0.64 L3MBTL1 (0.33) LMNAGAANAMPTALDH1A1KMT2A
SCHEMBL20108321 0.63 HSP90AA1 (0.34) HSP90AA1HSP90AB1LMNAALDH1A1KMT2A
SCHEMBL23747568 0.63 NAMPT (0.30) NAMPT
SCHEMBL9436253 0.62 HSP90AA1 (0.33) HSP90AA1HSP90AB1LMNAGAANAMPT
SCHEMBL23191901 0.62 TDP1 (0.35) LMNAGAANAMPTALDH1A1KMT2A
SCHEMBL14540010 0.61 HSD17B10 (0.35) LMNAGAANAMPTALDH1A1KMT2A
SCHEMBL17733547 0.61 NAMPT (0.33) HSP90AA1HSP90AB1LMNAGAANAMPT
SCHEMBL22312264 0.60 TDP1 (0.33) LMNAGAAALDH1A1KMT2AMEN1
SCHEMBL13591827 0.60 HSP90AA1 (0.33) HSP90AA1HSP90AB1GAANAMPT

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed