SCHEMBL28857633

SCHEMBL28857633

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccn3)o2)n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.67
▸ LMNA P02545 3/20 0.64
▸ POLB P06746 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ HIF1A Q16665 3/20 0.57
▸ EPAS1 Q99814 3/20 0.57
▸ MEN1 O00255 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.47
▸ PTGER1 P34995 1/20 0.47
▸ PIK3CA P42336 1/20 0.47

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
SCHEMBL28857649 0.84 LMNA (0.78) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857594 0.83 LMNA (0.76) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857664 0.82 KDM4E (0.68) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857637 0.81 KDM4E (0.71) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857579 0.81 LMNA (0.70) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857623 0.80 LMNA (0.71) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857608 0.80 LMNA (0.71) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857582 0.80 LMNA (0.68) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857601 0.78 LMNA (0.79) KDM4ELMNAPOLBHTTKMT2A
SCHEMBL28857665 0.76 HTT (1.00) KDM4ELMNAPOLBHTTKMT2A

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