SCHEMBL28857641

SCHEMBL28857641

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HTT P42858 2/20 0.42

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
SCHEMBL28857590 0.87 POLB (0.51) SMN1; SMN2KDM4EPOLBLMNAHTT
SCHEMBL28857607 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EPOLBLMNAHTT
SCHEMBL29898221 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EPOLBLMNAHTT
SCHEMBL28857639 0.85 HTT (0.53) SMN1; SMN2KDM4EPOLBLMNAHTT
SCHEMBL28857587 0.84 POLB (0.47) SMN1; SMN2POLBLMNAHTT
SCHEMBL28857586 0.84 KMT2A (0.49) SMN1; SMN2POLBLMNA
SCHEMBL29898218 0.84 POLB (0.47) SMN1; SMN2POLBLMNAHTT
SCHEMBL29898279 0.84 KMT2A (0.49) SMN1; SMN2POLBLMNA
SCHEMBL28857630 0.84 LMNA (0.50) SMN1; SMN2KDM4EPOLBLMNAHTT
SCHEMBL28857574 0.83 MGLL (0.48) SMN1; SMN2POLBLMNAHTT

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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