SCHEMBL30781187

SCHEMBL30781187

Cc1cc(Cl)cc(-c2ncnn3cc(CN4C(=O)C5C(C4=O)C5(C)C)cc23)c1OC[C@@H]1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 10/20 0.48
▸ KCNH2 Q12809 3/20 0.43
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ KDM1A O60341 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
SCHEMBL27119337 1.00 USP7 (0.48) USP7KCNH2USP2ALDH1A1TP53
SCHEMBL27152123 1.00 USP7 (0.48) USP7KCNH2USP2ALDH1A1TP53
Hydrochloric Acid SCHEMBL27141973 0.99 USP7 (0.48) USP7KCNH2USP2ALDH1A1TP53
Hydrochloric Acid SCHEMBL30781371 0.99 USP7 (0.48) USP7KCNH2USP2ALDH1A1TP53
Hydrochloric Acid SCHEMBL27141976 0.99 USP7 (0.48) USP7KCNH2USP2ALDH1A1TP53
SCHEMBL30781218 0.91 USP7 (0.46) USP7KCNH2KDM1A
SCHEMBL27130717 0.91 USP7 (0.46) USP7KCNH2KDM1A
Hydrochloric Acid SCHEMBL30781346 0.91 USP7 (0.46) USP7KCNH2KDM1A
Hydrochloric Acid SCHEMBL27152351 0.91 USP7 (0.46) USP7KCNH2KDM1A
SCHEMBL30781190 0.89 USP7 (0.59) USP7KCNH2USP2ALDH1A1TP53

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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