SCHEMBL24792211

SCHEMBL24792211

O=c1[nH]c(=S)[nH]c2c(I)cnn12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.31

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
SCHEMBL18788132 0.79 LPO (0.33) —
SCHEMBL14194705 0.76 PLAT (0.44) XDH
SCHEMBL2041629 0.63 — —
SCHEMBL24218365 0.61 ALDH1A1 (0.36) —
SCHEMBL26871058 0.60 PLAT (0.30) —
SCHEMBL26602716 0.59 PARP1 (0.33) —
SCHEMBL14941726 0.51 — —
SCHEMBL6189307 0.49 ALDH1A1 (0.45) —
SCHEMBL5823262 0.47 — —
SCHEMBL20456370 0.47 — —

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-2022266418-A1 TRIAZINE INHIBITORS OF CYCLIN-DEPENDENT KINASES H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-12-22 — — WO disclosed
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