SCHEMBL8522122

SCHEMBL8522122

CN(CCc1ccccn1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 7/20 0.49
TDP1 Q9NUW8 2/20 0.49
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 5/20 0.46
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL2755875 0.81 HIF1A (0.59) KMT2AMEN1HIF1AKDM4ETDP1
SCHEMBL5073353 0.80 HIF1A (0.55) KMT2AMEN1HIF1AKDM4ETDP1
Trifluoroacetic Acid SCHEMBL7339589 0.80 MEN1 (0.57) KMT2AMEN1HIF1AKDM4ETDP1
SCHEMBL12846060 0.76 HIF1A (0.64) KMT2AMEN1HIF1AKDM4ETDP1
SCHEMBL424285 0.76 HIF1A (0.59) KMT2AMEN1HIF1AKDM4ETDP1
SCHEMBL2755865 0.76 KDM4E (0.62) KMT2AMEN1HIF1AKDM4ETDP1
SCHEMBL12783382 0.75 HIF1A (0.55) KMT2AMEN1HIF1AKDM4ETDP1
SCHEMBL7974997 0.75 HIF1A (0.58) KMT2AMEN1HIF1AKDM4ETDP1
SCHEMBL424284 0.75 HIF1A (0.58) KMT2AMEN1HIF1AKDM4ETDP1
SCHEMBL7974996 0.75 HIF1A (0.58) KMT2AMEN1HIF1AKDM4ETDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901373-A4 Alpha v Beta 3 ANTAGONISTS MERCK & CO INC (US) 1999-07-07 EP disclosed
EP-0901373-A1 Alpha v Beta 3 ANTAGONISTS Merck & Co., Inc. (US) 1999-03-17 EP disclosed
WO-1997037655-A1 αvβ3 ANTAGONISTS MERCK & CO., INC. (US) 1997-10-16 WO disclosed