SCHEMBL22152007

SCHEMBL22152007

CC(C)(C#N)c1cn(CCCO)c2cc(Br)ccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.35
CNR2 P34972 5/20 0.35
CNR1 P21554 4/20 0.35
PRPS1 P60891 1/20 0.34
CHUK O15111 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22152483 0.83 ALDH1A1 (0.44) SMN1; SMN2GAACNR2CNR1PRPS1
SCHEMBL22152186 0.83 SMN1; SMN2 (0.35) SMN1; SMN2GAACNR2CNR1
SCHEMBL22122260 0.82 SMN1; SMN2 (0.35) SMN1; SMN2GAA
SCHEMBL22152008 0.81 DUT (0.40) SMN1; SMN2GAACNR2CNR1PRPS1
SCHEMBL22152194 0.81 KAT2B (0.37) SMN1; SMN2GAA
SCHEMBL22155669 0.81 KAT2B (0.37) SMN1; SMN2GAA
SCHEMBL22122439 0.81 SMN1; SMN2 (0.34) KDM1ASMN1; SMN2GAA
SCHEMBL26673748 0.80 NR1D1 (0.35) SMN1; SMN2GAA
SCHEMBL22122269 0.78 SMN1; SMN2 (0.33) SMN1; SMN2GAA
SCHEMBL22122325 0.78 SMN1; SMN2 (0.33) SMN1; SMN2GAA

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-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed