SCHEMBL25061358

SCHEMBL25061358

CS(C)(C)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL25061364 0.92 PTGS2 (0.33) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL25061353 0.91 PDK2 (0.31) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL25061355 0.90 MEN1 (0.33) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16922910 0.90 MEN1 (0.41) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16996108 0.90 MEN1 (0.41) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16158348 0.90 MEN1 (0.41) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16158332 0.90 MEN1 (0.41) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16922933 0.90 MEN1 (0.41) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16996111 0.90 MEN1 (0.41) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL24750116 0.89 KDM4E (0.35) PDK2MEN1KMT2AKDM4ELMNA

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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