SCHEMBL28857602

SCHEMBL28857602

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4[nH]cnc4c3)s2)n1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 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
SCHEMBL29898230 1.00 LMNA (0.40) LMNAPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL28857652 0.84 MAPT (0.48) LMNAPOLBRAB9AMAPTHTT
SCHEMBL28857617 0.83 ESR1 (0.43) LMNAPOLBRAB9ANPC1MAPT
SCHEMBL28857603 0.81 MEN1 (0.45) LMNAPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL28857616 0.80 POLB (0.49) LMNAPOLBRAB9ASMN1; SMN2TP53
SCHEMBL29898258 0.80 POLB (0.49) LMNAPOLBRAB9ASMN1; SMN2TP53
SCHEMBL28857607 0.79 SMN1; SMN2 (0.46) LMNAPOLBSMN1; SMN2HTTKDM4E
SCHEMBL29898221 0.79 SMN1; SMN2 (0.46) LMNAPOLBSMN1; SMN2HTTKDM4E
SCHEMBL28857620 0.79 TNIK (0.49) LMNAPOLBRAB9ASMN1; SMN2NPC1
SCHEMBL28857574 0.78 MGLL (0.48) LMNAPOLBRAB9ASMN1; SMN2NPC1

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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