SCHEMBL31185018

SCHEMBL31185018

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)ccnc4NC3=O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ LIMK2 P53671 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL31184878 0.88 MALT1 (0.45) CHKAALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL31184938 0.88 MALT1 (0.47) CHKAALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL31184671 0.86 MALT1 (0.58) SMN1; SMN2
SCHEMBL31185035 0.75 MALT1 (0.43) CHKAALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL31184709 0.74 MALT1 (0.51) CHKASMN1; SMN2MAPT
SCHEMBL31184841 0.74 POLB (0.45) CHKAALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL31185060 0.73 SMN1; SMN2 (0.47) CHKAALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL31184359 0.73 POLB (0.47) CHKAALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8324607 0.72 MTNR1A (0.71) ALDH1A1HTTSMN1; SMN2HPGDNPSR1
SCHEMBL31185102 0.72 POLB (0.44) CHKAALDH1A1HTTSMN1; SMN2LMNA

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
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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