SCHEMBL28857574

SCHEMBL28857574

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)s2)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTT P42858 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL28857648 0.90 HDAC3 (0.46) MGLLPOLB
SCHEMBL28857581 0.88 LMNA (0.48) MGLLPOLBHTTLMNAMAPT
SCHEMBL29898240 0.88 LMNA (0.48) MGLLPOLBHTTLMNAMAPT
SCHEMBL28857620 0.86 TNIK (0.49) POLBHTTLMNASMN1; SMN2MAPT
SCHEMBL29898258 0.83 POLB (0.49) POLBHTTLMNASMN1; SMN2MAPT
SCHEMBL28857616 0.83 POLB (0.49) POLBHTTLMNASMN1; SMN2MAPT
SCHEMBL28857590 0.83 POLB (0.51) POLBHTTLMNASMN1; SMN2MAPT
SCHEMBL28857641 0.83 SMN1; SMN2 (0.51) POLBHTTLMNASMN1; SMN2
SCHEMBL28857607 0.82 SMN1; SMN2 (0.46) POLBHTTLMNASMN1; SMN2HPGD
SCHEMBL29898221 0.82 SMN1; SMN2 (0.46) POLBHTTLMNASMN1; SMN2HPGD

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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