SCHEMBL28857590

SCHEMBL28857590

Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)s2)n1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL29898258 0.87 POLB (0.49) POLBMAPTHPGDALDH1A1MEN1
SCHEMBL28857616 0.87 POLB (0.49) POLBMAPTHPGDALDH1A1MEN1
SCHEMBL28857641 0.87 SMN1; SMN2 (0.51) POLBSMN1; SMN2LMNAKDM4EHTT
SCHEMBL29898279 0.86 KMT2A (0.49) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28857586 0.86 KMT2A (0.49) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL28857639 0.85 HTT (0.53) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29898218 0.84 POLB (0.47) POLBHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL28857659 0.84 POLB (0.50) POLBMAPTHPGDALDH1A1MEN1
SCHEMBL29898221 0.84 SMN1; SMN2 (0.46) POLBHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL28857607 0.84 SMN1; SMN2 (0.46) POLBHPGDMEN1KMT2ASMN1; SMN2

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-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 — — CN claimed
CN-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 — — CN disclosed
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