SCHEMBL254976

SCHEMBL254976

C=C(F)[C@@](C)(O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ EPAS1 Q99814 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ UBA2 Q9UBT2 1/20 0.44

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
SCHEMBL19684302 0.88 KMT2A (0.49) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL15235747 0.88 KMT2A (0.49) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL13244990 0.87 KMT2A (0.53) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL13245463 0.86 KMT2A (0.52) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL3013062 0.82 KMT2A (0.47) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL15235766 0.82 KMT2A (0.47) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL13244735 0.81 KMT2A (0.53) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL13245364 0.80 KMT2A (0.54) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL13245461 0.80 KMT2A (0.54) TSHRKMT2AKDM4EMAPK1SMN1; SMN2
SCHEMBL13654204 0.79 KMT2A (0.56) TSHRKMT2AMAPK1SMN1; SMN2HIF1A

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
WO-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 — — WO disclosed
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