SCHEMBL29057486

SCHEMBL29057486

CCOc1ccc2nc(NC(=O)CN3CCN(Cc4cnc(N)s4)CC3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ LMNA P02545 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ POLB P06746 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ TP53 P04637 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ CLK1 P49759 1/20 0.55
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL29057435 0.92 ALDH1A1 (0.69) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL27008579 0.89 SMN1; SMN2 (0.63) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL30620435 0.89 SMN1; SMN2 (0.63) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL29057534 0.84 SLC27A1 (0.59) SMN1; SMN2ALDH1A1KDM4EPOLBKMT2A
SCHEMBL27008544 0.81 OGA (0.71) SMN1; SMN2ALDH1A1KDM4EPOLBKMT2A
SCHEMBL8533002 0.78 SMN1; SMN2 (0.70) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL8354249 0.77 SMN1; SMN2 (0.71) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL5331656 0.76 SMN1; SMN2 (0.62) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL5331662 0.76 SMN1; SMN2 (0.62) SMN1; SMN2LMNAUSP2TSHRALDH1A1
SCHEMBL14544241 0.76 SMN1; SMN2 (0.62) SMN1; SMN2LMNAUSP2TSHRALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 — — CN disclosed
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