SCHEMBL30967451

SCHEMBL30967451

CCCOc1nccc2[nH]c(C(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ ROCK2 O75116 3/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ CA12 O43570 4/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA2 P00918 4/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP3A43 Q9HB55 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ DYRK1A Q13627 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
SCHEMBL30967628 0.86 CKS1B (0.37) PARP1CKS1BSKP1SKP2ROCK2
SCHEMBL30967483 0.71 XDH (0.40) CYP2C19DYRK1ATDP1
SCHEMBL30967482 0.69 KDM4E (0.38) CYP2C19
SCHEMBL30967649 0.69 SYK (0.43) SYKTDP1
SCHEMBL18947317 0.64 TDP1 (0.51) CKS1BSKP1SKP2CA12CA1
SCHEMBL20500778 0.64 TDP1 (0.54) CKS1BSKP1SKP2CA12CA1
SCHEMBL6753294 0.64 TDP1 (0.54) CKS1BSKP1SKP2SSTR4CA12
SCHEMBL28354520 0.63 GRM4 (0.44) CA12CA1CA2CA9CYP1A1
SCHEMBL17532685 0.62 CKS1B (0.53) CKS1BSKP1SKP2BCHEDRD2
SCHEMBL17532689 0.62 HPGD (0.46) PARP1CKS1BSKP1SKP2CA12

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
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
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