SCHEMBL22152008

SCHEMBL22152008

CC(C)(C#N)c1cn(CCCO[Si](C)(C)C(C)(C)C)c2cc(Br)ccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.40
PRPS1 P60891 1/20 0.31
CNR2 P34972 2/20 0.30
CNR1 P21554 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GSK3B P49841 2/20 0.30
QPCT Q16769 2/20 0.30
GAA P10253 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
SCHEMBL22128414 0.81
SCHEMBL22152483 0.81 ALDH1A1 (0.44) PRPS1CNR2CNR1SMN1; SMN2ALDH1A1
SCHEMBL22152007 0.81 KDM1A (0.36) PRPS1CNR2CNR1SMN1; SMN2GAA
SCHEMBL22128369 0.79
SCHEMBL22128175 0.79
SCHEMBL22128239 0.79
SCHEMBL22128251 0.79
SCHEMBL22122373 0.79
SCHEMBL22128381 0.76
SCHEMBL31121473 0.74 KRAS (0.36) DUTPRPS1GSK3B

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