SCHEMBL22620183

SCHEMBL22620183

C[Si](C)(C)CCOCn1ccc2c(N)c(Br)cnc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
NPC1 O15118 1/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MAPT P10636 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
SCHEMBL2112213 0.86 DGAT1 (0.43) DGAT1NPC1BRD4CREBBPMAPT
SCHEMBL21632526 0.85 DGAT1 (0.42) DGAT1NPC1BRD4CREBBPMAPT
SCHEMBL1565433 0.85 DGAT1 (0.40) DGAT1NPC1BRD4CREBBPMAPT
SCHEMBL2115664 0.85 DGAT1 (0.40) DGAT1NPC1BRD4CREBBPMAPT
SCHEMBL21858990 0.84 DGAT1 (0.39) DGAT1BRD4CREBBPMAPT
SCHEMBL2112413 0.84 DGAT1 (0.39) DGAT1BRD4CREBBP
SCHEMBL10099308 0.82 DGAT1 (0.34) DGAT1NPC1BRD4CREBBPMAPT
SCHEMBL566964 0.82 KDM4E (0.34) DGAT1NPC1MAPT
SCHEMBL21958346 0.81 DGAT1 (0.38) DGAT1MAPT
SCHEMBL101528 0.81 DGAT1 (0.40) DGAT1NPC1MAPT

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-2020223728-A1 SUBSTITUTED PYRROLOPYRIDINES AS JAK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-11-05 WO disclosed