SCHEMBL903086

SCHEMBL903086

Cc1onc(C2CC=CC=N2)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
AGTR1 P30556 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
SCHEMBL12021938 0.77 SMN1; SMN2 (0.34) LMNARECQLKMT2AGAAMEN1
SCHEMBL903036 0.72 LMNA (0.34) LMNARECQLKMT2AGAAMEN1
SCHEMBL23062876 0.71 BRD4 (0.40) LMNARECQLKMT2AGAAMEN1
SCHEMBL903112 0.70 TSHR (0.32) KMT2AMEN1ALDH1A1
SCHEMBL903082 0.69 ALDH1A1 (0.33) LMNARECQLKMT2AGAAMEN1
SCHEMBL21590983 0.69 LMNA (0.32) LMNARECQL
SCHEMBL903056 0.66
SCHEMBL6889091 0.66 RECQL (0.43) LMNARECQLKMT2AGAAMEN1
SCHEMBL10082089 0.65 KDM4E (0.31) KDM4E
SCHEMBL10279301 0.65 LMNA (0.39) LMNARECQLKMT2AGAAMEN1

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-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed