SCHEMBL23848166

SCHEMBL23848166

Cc1ccc(OCCOC2CCCCO2)c(F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
P2RX3 P56373 4/20 0.33
CREBBP Q92793 1/20 0.33
HPGD P15428 1/20 0.30
POLB P06746 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
SCHEMBL23835255 0.84 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL31267284 0.83 MEN1 (0.40) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL23835297 0.82 MEN1 (0.44) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL411707 0.75 MEN1 (0.41) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL29168261 0.75 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL19304000 0.75 NPC1 (0.46) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL13642501 0.75 KDM4E (0.46) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL1345450 0.75 KDM4C (0.49) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL1629524 0.74 S1PR4 (0.43) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL22031112 0.74 MEN1 (0.42) L3MBTL1MEN1KMT2AKDM4CNPC1

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-2021186324-A1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2021-09-23 WO disclosed