SCHEMBL28857620

SCHEMBL28857620

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)s2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 1/20 0.49
▸ RAB9A P51151 8/20 0.48
▸ NPC1 O15118 7/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL28857632 0.88 IMPDH2 (0.46) TNIKLMNAHTTPOLB
SCHEMBL28857603 0.87 MEN1 (0.45) TNIKRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL28857574 0.86 MGLL (0.48) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL28857617 0.85 ESR1 (0.43) RAB9ANPC1MAPTLMNAHTT
SCHEMBL29898258 0.84 POLB (0.49) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28857616 0.84 POLB (0.49) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29898221 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL28857607 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AKDM4ELMNA
SCHEMBL28857641 0.82 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ELMNAHTTPOLB
SCHEMBL28857590 0.82 POLB (0.51) RAB9ASMN1; SMN2MEN1KMT2AKDM4E

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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