SCHEMBL24324602

SCHEMBL24324602

CCC(C)(C)CC(N)COc1cc(-c2c(C)cccc2C)nc(NSc2cccc(C(=O)O)c2)n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.31
ALKBH3 Q96Q83 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL24298126 0.93 SYK (0.32) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL24323223 0.93 SYK (0.32) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL24324763 0.92 NPC1 (0.31) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL24299042 0.92 NPC1 (0.31) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL24298904 0.90 LOXL2 (0.31)
SCHEMBL24324181 0.88 SYK (0.31) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL24298181 0.87 NPC1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL24298196 0.87 MEN1 (0.30) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL24298810 0.87 AAK1 (0.34) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL22509294 0.87 AAK1 (0.34) MEN1NPC1ALDH1A1RAB9AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed