SCHEMBL14577835

SCHEMBL14577835

Cc1ccc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)cc1C#CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.41
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL5216277 0.93 MAPT (0.41) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL5216272 0.91 MAPT (0.39) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL5353738 0.91 MAPT (0.41) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL5215826 0.87 MAPT (0.47) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL5217930 0.84 KCNJ6 (0.48) MAPTLMNASMN1; SMN2POLBRAB9A
SCHEMBL5215570 0.84 MAPT (0.43) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL5218792 0.84 MAPT (0.43) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL5218842 0.84 MAPT (0.48) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL5215872 0.83 MAPT (0.42) MAPTLMNASMN1; SMN2TP53POLB
SCHEMBL5328567 0.82 MAPT (0.46) MAPTLMNASMN1; SMN2TP53POLB

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
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
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