SCHEMBL27714645

SCHEMBL27714645

NCc1ccc(NC(=O)Nc2nc(CN3CCCCC3)cs2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ BLM P54132 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ACKR3 P25106 1/20 0.41
▸ TNIK Q9UKE5 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ NPC1 O15118 2/20 0.39

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
SCHEMBL27714641 0.99 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27694723 0.97 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5221522 0.87 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5218752 0.86 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27694721 0.85 NOD1 (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5218200 0.84 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27714644 0.80 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27694795 0.80 MAPT (0.46) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27694822 0.78 MAPT (0.47) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL27714640 0.77 MAPT (0.43) MAPTSMN1; SMN2MEN1KMT2ALMNA

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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