SCHEMBL27714643

SCHEMBL27714643

CC(C)N(C)Cc1csc(NC(=O)Nc2ccc(CN)c(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ MAPK14 Q16539 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38
▸ AOC3 Q16853 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ SMARCA2 P51531 1/20 0.36
▸ SMARCA4 P51532 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
SCHEMBL28768848 0.89 MAPT (0.39) MAPTLMNASMN1; SMN2TP53L3MBTL1
SCHEMBL28769034 0.89 MAPT (0.39) MAPTLMNASMN1; SMN2TP53AOC3
SCHEMBL27714640 0.89 MAPT (0.43) MAPTMAPK14LMNASMN1; SMN2TP53
SCHEMBL5218842 0.87 MAPT (0.48) MAPTMAPK14LMNASMN1; SMN2TP53
SCHEMBL27714654 0.85 AVPR1B (0.38) MAPTLMNASMN1; SMN2TP53AOC3
SCHEMBL5219268 0.83 BLM (0.49) MAPTLMNASMN1; SMN2CACNA1GCACNA1H
SCHEMBL27714648 0.82 FNTA (0.40) MAPTLMNASMN1; SMN2TP53L3MBTL1
SCHEMBL5215826 0.82 MAPT (0.47) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL5219606 0.82 MAPT (0.44) MAPTLMNASMN1; SMN2TP53RAB9A
Cyclopropane SCHEMBL27714655 0.81 AOC3 (0.43) MAPTLMNASMN1; SMN2TP53AOC3

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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