SCHEMBL25323162

SCHEMBL25323162

CN1C(C)(C)CC(c2nc3cc(Cl)ccc3s2)CC1(C)C.COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PPARA Q07869 2/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
SGK1 O00141 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
LMNA P02545 1/20 0.33
FBP1 P09467 1/20 0.33
ACLY P53396 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
F10 P00742 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL24365825 0.84 NPC1 (0.55) NPC1RAB9APPARATP53MAPT
SCHEMBL30470952 0.84 NPC1 (0.55) NPC1RAB9APPARATP53MAPT
SCHEMBL25320553 0.73 NPC1 (0.44) NPC1RAB9ATP53MAPTPOLB
SCHEMBL24365817 0.71 NPC1 (0.54) NPC1RAB9AGAATP53MAPT
SCHEMBL30469538 0.71 NPC1 (0.54) NPC1RAB9AGAATP53MAPT
Formaldehyde SCHEMBL25322403 0.71 NPC1 (0.51) NPC1RAB9AGAATP53MAPT
SCHEMBL24233849 0.71 UBE2M (0.39) NPC1RAB9AGAAALDH1A1UBE2M
SCHEMBL24365032 0.69 NPC1 (0.60) NPC1RAB9APPARAGAATP53
SCHEMBL30470110 0.69 NPC1 (0.60) NPC1RAB9APPARAGAATP53
SCHEMBL24365158 0.68 NPC1 (0.60) NPC1RAB9APPARATP53MAPT

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
EP-4469455-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed