SCHEMBL30987396

SCHEMBL30987396

COc1ccccc1-c1cn(-c2cccc3ccccc23)nn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 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
SCHEMBL3270459 0.84 NOTUM (0.57) NOTUMCA12CA1CA2CA9
SCHEMBL30987380 0.82 NOTUM (0.52) NOTUMCA12CA1CA2CA9
SCHEMBL28664383 0.81 DRD2 (0.47) —
SCHEMBL30987393 0.79 ABCG2 (0.57) NOTUMCA12CA1CA2CA9
SCHEMBL30987400 0.77 STIM1 (0.52) NOTUMCA12CA1CA2CA9
SCHEMBL18029589 0.77 FLT3 (0.50) CA1CA2
SCHEMBL30987381 0.76 BCHE (0.62) NOTUMCA12CA1CA2CA9
SCHEMBL20532909 0.76 KDM1A (0.45) —
SCHEMBL20533135 0.76 GRM5 (0.44) —
SCHEMBL23879988 0.75 FLT3 (0.46) CA1CA2

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-2024133292-A1 NOVEL CCR8 ANTAGONISTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-27 — — WO disclosed
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