SCHEMBL21185500

SCHEMBL21185500

COCCN1C(=O)C(=C2SC3=C(S2)C(=O)C=CC3=O)C(=O)N1CCOC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ RGS4 P49798 1/20 0.31
▸ RGS8 P57771 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL21185503 0.81 MEN1 (0.32) ALDH1A1LMNAMAPT
SCHEMBL21185462 0.79 ALDH1A1 (0.36) ALDH1A1RGS4RGS8MAPT
SCHEMBL21185494 0.79 — —
SCHEMBL21185502 0.78 — —
SCHEMBL21185520 0.77 HSD17B3 (0.38) ALDH1A1MAPTCYP2C9
SCHEMBL21185415 0.76 MGLL (0.42) ALDH1A1CYP3A4MAPTTSHR
SCHEMBL21185493 0.74 GSK3A (0.47) ALDH1A1LMNAMAPT
SCHEMBL21185509 0.72 ALDH1A1 (0.33) ALDH1A1CYP3A4
SCHEMBL21185498 0.72 GSK3B (0.44) ALDH1A1MAPT
SCHEMBL21185504 0.69 — —

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-2019142538-A1 COMPOSITION, CURABLE COMPOSITION, AND COMPOUND 富士フイルム株式会社 2019-07-25 — — WO disclosed
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