SCHEMBL27694724

SCHEMBL27694724

CC(C)N(C)Cc1csc(NC(=O)Nc2cccc(C3CC3Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CTPS1 P17812 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FYN P06241 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL5220723 0.88 SMN1; SMN2 (0.45) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5215989 0.84 MAPT (0.63) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5219334 0.82 MEN1 (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5219298 0.82 MAPT (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5220900 0.79 MAPT (0.54) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5222457 0.79 RAB9A (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5219021 0.78 MAPT (0.42) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5215826 0.78 MAPT (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5220598 0.77 HSD17B10 (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5217930 0.77 KCNJ6 (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A

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
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN claimed
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN disclosed
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