SCHEMBL25061364

SCHEMBL25061364

CS(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.33
▸ PDK2 Q15119 3/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NLRP3 Q96P20 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
SCHEMBL25061355 0.98 MEN1 (0.33) PTGS2PDK2ESR1KDM4EMEN1
SCHEMBL25061358 0.92 PDK2 (0.34) PTGS2PDK2ESR1KDM4EMEN1
SCHEMBL20466618 0.91 MEN1 (0.36) PDK2ESR1KDM4EMEN1LMNA
SCHEMBL15290145 0.91 MEN1 (0.36) PDK2ESR1KDM4EMEN1LMNA
SCHEMBL16922920 0.91 MEN1 (0.36) PDK2ESR1KDM4EMEN1LMNA
SCHEMBL16922922 0.91 MEN1 (0.36) PDK2ESR1KDM4EMEN1LMNA
SCHEMBL22403340 0.90 PDK2 (0.34) PDK2ESR1KDM4EMEN1LMNA
SCHEMBL22151230 0.90 MEN1 (0.39) PDK2ESR1KDM4EMEN1LMNA
SCHEMBL17804996 0.90 MEN1 (0.39) PDK2ESR1KDM4EMEN1LMNA
SCHEMBL17903067 0.90 MEN1 (0.39) PDK2ESR1KDM4EMEN1LMNA

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
US-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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