SCHEMBL28857630

SCHEMBL28857630

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(F)cc3C)s2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ HIF1A Q16665 3/20 0.39
▸ EPAS1 Q99814 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL28857659 0.88 POLB (0.50) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL28857580 0.88 LMNA (0.66) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL28857581 0.85 LMNA (0.48) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL29898240 0.85 LMNA (0.48) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL28857641 0.84 SMN1; SMN2 (0.51) LMNAPOLBSMN1; SMN2KDM4EHTT
SCHEMBL28857607 0.81 SMN1; SMN2 (0.46) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL29898221 0.81 SMN1; SMN2 (0.46) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL28857598 0.81 POLB (0.44) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL28857612 0.80 GAA (0.57) LMNAPOLBMEN1TSHRKMT2A
SCHEMBL28857600 0.79 POLB (0.78) LMNAPOLBMEN1TSHRKMT2A

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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