SCHEMBL28857632

SCHEMBL28857632

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cnccc4c3)s2)n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 4/20 0.46
▸ PRMT3 O60678 3/20 0.44
▸ TNIK Q9UKE5 1/20 0.42
▸ NOTUM Q6P988 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 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
SCHEMBL28857620 0.88 TNIK (0.49) TNIKHTTLMNAPOLB
SCHEMBL28857603 0.82 MEN1 (0.45) TNIKNOTUMLMNAPOLB
SCHEMBL28857648 0.82 HDAC3 (0.46) POLB
SCHEMBL28857617 0.82 ESR1 (0.43) NOTUMHTTLMNAPOLB
SCHEMBL29898258 0.81 POLB (0.49) HTTLMNAPOLB
SCHEMBL28857616 0.81 POLB (0.49) HTTLMNAPOLB
SCHEMBL29898221 0.80 SMN1; SMN2 (0.46) HTTLMNAPOLB
SCHEMBL28857607 0.80 SMN1; SMN2 (0.46) HTTLMNAPOLB
SCHEMBL28857639 0.79 HTT (0.53) HTTLMNAPOLB
SCHEMBL28857641 0.79 SMN1; SMN2 (0.51) HTTLMNAPOLB

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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