SCHEMBL30781131

SCHEMBL30781131

Cc1cc(Cl)cc(-c2ncnn3cc(Cn4c(=O)ccn(CC(F)(F)F)c4=O)cc23)c1CC1CNC[C@H](C)O1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 4/20 0.42
▸ HSD17B13 Q7Z5P4 1/20 0.32
▸ KCNH2 Q12809 2/20 0.32

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
SCHEMBL27119463 1.00 USP7 (0.42) USP7HSD17B13KCNH2
Hydrochloric Acid SCHEMBL27143182 0.99 USP7 (0.42) USP7HSD17B13KCNH2
Hydrochloric Acid SCHEMBL30781459 0.99 USP7 (0.42) USP7HSD17B13KCNH2
SCHEMBL27120454 0.93 USP7 (0.42) USP7KCNH2
SCHEMBL30781174 0.93 USP7 (0.42) USP7KCNH2
Hydrochloric Acid SCHEMBL30781432 0.93 USP7 (0.42) USP7KCNH2
Hydrochloric Acid SCHEMBL27215376 0.93 USP7 (0.42) USP7KCNH2
SCHEMBL27120279 0.92 USP7 (0.41) USP7KCNH2
SCHEMBL30781237 0.92 USP7 (0.41) USP7KCNH2
Hydrochloric Acid SCHEMBL30781401 0.91 USP7 (0.41) USP7KCNH2

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
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO claimed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO disclosed
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