SCHEMBL28857587

SCHEMBL28857587

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(F)c3)s2)n1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ AR P10275 2/20 0.46
▸ PTGDR2 Q9Y5Y4 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ KCNJ6 P48051 1/20 0.42
▸ KCNJ5 P48544 1/20 0.42
▸ KCNJ3 P48549 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL29898218 1.00 POLB (0.47) POLBARPTGDR2SMN1; SMN2LMNA
SCHEMBL28857586 0.92 KMT2A (0.49) POLBPTGDR2SMN1; SMN2LMNA
SCHEMBL29898279 0.92 KMT2A (0.49) POLBPTGDR2SMN1; SMN2LMNA
SCHEMBL28857616 0.91 POLB (0.49) POLBPTGDR2SMN1; SMN2LMNAHTT
SCHEMBL29898258 0.91 POLB (0.49) POLBPTGDR2SMN1; SMN2LMNAHTT
SCHEMBL29898221 0.88 SMN1; SMN2 (0.46) POLBSMN1; SMN2LMNAKCNJ6KCNJ5
SCHEMBL28857607 0.88 SMN1; SMN2 (0.46) POLBSMN1; SMN2LMNAKCNJ6KCNJ5
SCHEMBL28857590 0.84 POLB (0.51) POLBPTGDR2SMN1; SMN2LMNAHTT
SCHEMBL28857641 0.84 SMN1; SMN2 (0.51) POLBSMN1; SMN2LMNAHTT
SCHEMBL28857620 0.82 TNIK (0.49) POLBSMN1; SMN2LMNAHTTALDH1A1

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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