SCHEMBL24683228

SCHEMBL24683228

CCOC(=O)c1c(NC(C)=O)sc2cc(O)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ LMNA P02545 1/20 0.60
▸ ALOX12 P18054 1/20 0.60
▸ KDM4E B2RXH2 3/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.53
▸ TSHR P16473 3/20 0.53
▸ MCL1 Q07820 2/20 0.52
▸ PRKCZ Q05513 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ RPS6KB1 P23443 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ MAPKAPK2 P49137 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ RPS6KA3 P51812 1/20 0.48

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
SCHEMBL30701686 1.00 MEN1 (0.61) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5165684 0.83 MAPT (0.67) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL24683238 0.79 MAPT (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5462763 0.79 KMT2A (0.55) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL24683234 0.76 KDM4E (0.59) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL30701675 0.76 KDM4E (0.59) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL31459976 0.76 MAPT (0.75) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL31459864 0.76 KMT2A (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL15172955 0.76 KMT2A (1.00) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2921771 0.75 MAPT (1.00) MEN1KMT2AMAPTSMN1; 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-2022173329-A1 2-ACETAMIDO-6-HYDROXY-BENZOTHIOPHENE DERIVATIVES WITH ANTIVIRAL ACTIVITY Акционерное общество "Отисифарм" 2022-08-18 — — WO disclosed
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