SCHEMBL29057435

SCHEMBL29057435

COc1ccc2nc(NC(=O)CN3CCN(Cc4cnc(N)s4)CC3)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ KDM4E B2RXH2 1/20 0.67
▸ WNT3A P56704 1/20 0.56
▸ OGA O60502 1/20 0.55
▸ CASP2 P42575 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 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
SCHEMBL29057486 0.92 SMN1; SMN2 (0.64) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL27008544 0.89 OGA (0.71) ALDH1A1POLBKMT2AKDM4EOGA
SCHEMBL29057534 0.84 SLC27A1 (0.59) ALDH1A1POLBKMT2AKDM4EOGA
SCHEMBL8351312 0.83 ALDH1A1 (0.76) ALDH1A1POLBKMT2AKDM4ECASP2
SCHEMBL30620435 0.81 SMN1; SMN2 (0.63) ALDH1A1POLBKMT2AKDM4EOGA
SCHEMBL27008579 0.81 SMN1; SMN2 (0.63) ALDH1A1POLBKMT2AKDM4EOGA
SCHEMBL29057422 0.81 OGA (0.59) ALDH1A1KMT2AKDM4EOGATSHR
SCHEMBL8353613 0.80 ALDH1A1 (0.74) ALDH1A1POLBKMT2AKDM4ECASP2
SCHEMBL8356375 0.79 ALDH1A1 (0.75) ALDH1A1POLBKMT2AKDM4ETSHR
SCHEMBL8354234 0.79 ALDH1A1 (0.76) ALDH1A1POLBKMT2AKDM4ETSHR

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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