SCHEMBL28857586

SCHEMBL28857586

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

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TSHR P16473 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
SCHEMBL29898279 1.00 KMT2A (0.49) KMT2AMEN1POLBMAPTMAPK1
SCHEMBL29898218 0.92 POLB (0.47) POLBSMN1; SMN2PTGDR2LMNA
SCHEMBL28857587 0.92 POLB (0.47) POLBSMN1; SMN2PTGDR2LMNA
SCHEMBL29898258 0.91 POLB (0.49) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL28857616 0.91 POLB (0.49) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL28857607 0.90 SMN1; SMN2 (0.46) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL29898221 0.90 SMN1; SMN2 (0.46) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL28857590 0.86 POLB (0.51) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL28857641 0.84 SMN1; SMN2 (0.51) POLBSMN1; SMN2LMNA
SCHEMBL28857659 0.82 POLB (0.50) KMT2AMEN1POLBMAPTSMN1; 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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