SCHEMBL28857652

SCHEMBL28857652

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KLK7 P49862 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ XDH P47989 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ THRB P10828 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
SCHEMBL29898230 0.84 LMNA (0.40) MAPTKDM4ERAB9ALMNAPOLB
SCHEMBL28857602 0.84 LMNA (0.40) MAPTKDM4ERAB9ALMNAPOLB
SCHEMBL28857617 0.84 ESR1 (0.43) MAPTRAB9ALMNAPOLBHTT
SCHEMBL29898258 0.83 POLB (0.49) MAPTALDH1A1RAB9ALMNAPOLB
SCHEMBL28857616 0.83 POLB (0.49) MAPTALDH1A1RAB9ALMNAPOLB
SCHEMBL29898221 0.82 SMN1; SMN2 (0.46) KDM4ELMNAPOLBMEN1KMT2A
SCHEMBL28857620 0.82 TNIK (0.49) MAPTKDM4EALDH1A1RAB9ALMNA
SCHEMBL28857607 0.82 SMN1; SMN2 (0.46) KDM4ELMNAPOLBMEN1KMT2A
SCHEMBL28857574 0.81 MGLL (0.48) MAPTRAB9ALMNAPOLBHTT
SCHEMBL28857590 0.81 POLB (0.51) MAPTKDM4EALDH1A1RAB9ALMNA

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
Send feedback