SCHEMBL31358136

SCHEMBL31358136

Cc1nnc(-c2cccc3c(Br)nn(COCC[Si](C)(C)C)c23)o1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
DGAT1 O75907 3/20 0.34
MAPK14 Q16539 2/20 0.31
MAPK11 Q15759 1/20 0.31
NPC1 O15118 3/20 0.31
PDK2 Q15119 1/20 0.31
RAB9A P51151 2/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31357995 0.78 NPC1 (0.37) DGAT1NPC1
SCHEMBL24096893 0.77 DGAT1 (0.41) DGAT1NPC1
SCHEMBL25770427 0.77 ESR1 (0.40) DGAT1NPC1
SCHEMBL31056355 0.76 NPC1 (0.34) DGAT1NPC1
SCHEMBL31056563 0.74 NPC1 (0.33) DGAT1NPC1
SCHEMBL31055904 0.74 NPC1 (0.36) BRD4DGAT1NPC1
SCHEMBL31358117 0.73 NPC1 (0.37) DGAT1NPC1SMN1; SMN2
SCHEMBL31056473 0.72 NPC1 (0.32) DGAT1NPC1
SCHEMBL16023365 0.71 NPC1 (0.42) DGAT1NPC1SMN1; SMN2
SCHEMBL30509474 0.69 L3MBTL1 (0.37) BRD4DGAT1NPC1

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-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed