SCHEMBL30781111

SCHEMBL30781111

Cc1cc(Cl)cc(-c2ncnn3cc(CN4C(=O)C5C(C4=O)C5(C)C)cc23)c1OC1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 12/20 0.56
▸ KCNH2 Q12809 2/20 0.46
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL27118494 1.00 USP7 (0.56) USP7KCNH2USP2ALDH1A1TP53
Hydrochloric Acid SCHEMBL30781249 0.99 USP7 (0.55) USP7KCNH2USP2ALDH1A1TP53
Hydrochloric Acid SCHEMBL27137229 0.99 USP7 (0.55) USP7KCNH2USP2ALDH1A1TP53
SCHEMBL27150451 0.92 USP7 (0.59) USP7KCNH2USP2ALDH1A1TP53
SCHEMBL27118488 0.92 USP7 (0.59) USP7KCNH2USP2ALDH1A1TP53
SCHEMBL30781190 0.92 USP7 (0.59) USP7KCNH2USP2ALDH1A1TP53
Hydrochloric Acid SCHEMBL27142511 0.91 USP7 (0.58) USP7KCNH2
Hydrochloric Acid SCHEMBL30781319 0.91 USP7 (0.58) USP7KCNH2
Hydrochloric Acid SCHEMBL27142510 0.91 USP7 (0.58) USP7KCNH2
SCHEMBL30781218 0.91 USP7 (0.46) 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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