SCHEMBL11697696

SCHEMBL11697696

NC(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C=NO)CS[C@@H]12)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.71
▸ ALDH1A1 P00352 7/20 0.71
▸ HSD17B10 Q99714 7/20 0.71
▸ KMT2A Q03164 6/20 0.71
▸ KDM4E B2RXH2 5/20 0.71
▸ MEN1 O00255 5/20 0.71
▸ TDP1 Q9NUW8 5/20 0.71
▸ HPGD P15428 4/20 0.71
▸ CYP3A4 P08684 4/20 0.71
▸ SLC15A2 Q16348 3/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ CYP2C19 P33261 2/20 0.71
▸ BLM P54132 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ ADORA3 P0DMS8 1/20 0.71
▸ CTDSP1 Q9GZU7 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ ADRA1A P35348 1/20 0.71
▸ HTR2B P41595 1/20 0.71

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
SCHEMBL11697686 1.00 MAPT (0.71) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL11587339 0.88 ALDH1A1 (0.73) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL11585032 0.88 ALDH1A1 (0.73) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL11587336 0.88 ALDH1A1 (0.73) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL11585026 0.88 ALDH1A1 (0.73) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL10819055 0.86 PTGS2 (0.86) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL10819058 0.86 PTGS2 (0.86) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL11707675 0.86 PTGS2 (0.71) MAPTALDH1A1HSD17B10KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL11699957 0.84 MAPT (0.63) MAPTALDH1A1HSD17B10KMT2AKDM4E
SCHEMBL11860389 0.84 MAPT (0.79) MAPTALDH1A1HSD17B10KMT2AKDM4E

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
US-4053469-A BACTERICIDES SHIONOGI & CO., LTD. (JA) 1977-10-11 — — US disclosed
US-3987039-A ANTIBACTERIAL SHIONOGI & CO., LTD. (JA) 1976-10-19 — — US disclosed
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