SCHEMBL24967119

SCHEMBL24967119

Cc1ccc(SNc2ccc3c(c2)/C(=C/c2cnc(C)[nH]2)C(=O)N3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ LRRK2 Q5S007 1/20 0.56
▸ PAK4 O96013 1/20 0.48
▸ MAP4K1 Q92918 5/20 0.47
▸ PDPK1 O15530 5/20 0.44
▸ RET P07949 2/20 0.43
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ TLK2 Q86UE8 2/20 0.41
▸ NEK2 P51955 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL24967155 0.85 TLK2 (0.57) MAPTKMT2APAK4MAP4K1PDPK1
SCHEMBL24967118 0.81 NPC1 (0.55) NPC1MAPTKMT2AGAATDP1
SCHEMBL30155085 0.81 NPC1 (0.55) NPC1MAPTKMT2AGAATDP1
SCHEMBL30155038 0.81 NPC1 (0.55) NPC1MAPTKMT2AGAATDP1
SCHEMBL24967157 0.81 MAP4K1 (0.47) MAPTKMT2ALRRK2MAP4K1PDPK1
SCHEMBL24966362 0.80 TLK2 (0.58) TLK2NTRK1
SCHEMBL15879182 0.78 NPC1 (0.69) NPC1MAPTKMT2AGAATDP1
SCHEMBL14375860 0.78 NPC1 (0.69) NPC1MAPTKMT2AGAATDP1
SCHEMBL24966377 0.78 MEN1 (0.47) MAPTKMT2AMAP4K1PDPK1RET
SCHEMBL14335879 0.76 KMT2A (0.69) NPC1MAPTKMT2AGAATDP1

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-2023001942-A1 14-3-3 PROTEIN MODULATORS AS ANTITUMOR AGENTS RAPPOSELLI SIMONA (IT) 2023-01-26 — — WO disclosed
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