SCHEMBL25323112

SCHEMBL25323112

C[C@H]1CC=C(c2ccc3ncccc3c2)N(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ AR P10275 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL30551030 0.85 POLB (0.42) NPC1POLBRAB9AMCL1GSK3B
SCHEMBL31578459 0.85 POLB (0.42) NPC1POLBRAB9AMCL1GSK3B
SCHEMBL25324303 0.85 POLB (0.42) NPC1POLBRAB9AMCL1GSK3B
SCHEMBL25324308 0.85 POLB (0.42) NPC1POLBRAB9AMCL1GSK3B
SCHEMBL25322039 0.84 NPC1 (0.40) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL25326041 0.80 GRM5 (0.38) KDM4E
SCHEMBL25320788 0.79 CYP1A2 (0.34) HPGDALDH1A1
SCHEMBL25320784 0.79 CYP1A2 (0.34) HPGDALDH1A1
SCHEMBL30886216 0.78 MAPT (0.40) NPC1POLBRAB9AHPGDMEN1
SCHEMBL30886268 0.77 GSK3B (0.41) POLBGSK3BMEN1KMT2AFASN

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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