SCHEMBL30987390

SCHEMBL30987390

Cc1ccc(-c2cn(-c3cccc4ccccc34)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.55
▸ NOTUM Q6P988 1/20 0.52
▸ CA12 O43570 3/20 0.51
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ BCHE P06276 1/20 0.49
▸ FLT3 P36888 3/20 0.48
▸ PTGS2 P35354 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ LDHA P00338 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ ALDH1A3 P47895 1/20 0.41

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
SCHEMBL30987381 0.88 BCHE (0.62) MIFNOTUMCA12CA1CA2
SCHEMBL30987376 0.86 CA2 (0.51) MIFNOTUMCA12CA1CA2
SCHEMBL25055359 0.86 MIF (0.74) MIFNOTUMCA12CA1CA2
SCHEMBL30987377 0.86 MIF (0.55) MIFNOTUMCA12CA1CA2
SCHEMBL30987393 0.85 ABCG2 (0.57) MIFNOTUMCA12CA1CA2
SCHEMBL28147063 0.82 FLT3 (0.63) MIFCA12CA1CA2CA9
SCHEMBL30987380 0.80 NOTUM (0.52) MIFNOTUMCA12CA1CA2
SCHEMBL29158504 0.79 BCHE (0.51) MIFCA12CA1CA2CA9
SCHEMBL3270459 0.79 NOTUM (0.57) MIFNOTUMCA12CA1CA2
SCHEMBL28645410 0.79 BCHE (0.51) MIFNOTUMCA12CA1CA2

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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