SCHEMBL9425650

SCHEMBL9425650

COc1ccc(OC)c(CN2CCN(C(=O)[C@@H](N)CSCc3ccccc3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
TP53 P04637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MTNR1B P49286 1/20 0.49
TSHR P16473 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL9426865 0.87 FAAH (0.58) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL9154459 0.86 ALDH1A1 (0.56) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL9159580 0.83 MEN1 (0.48) NPC1MEN1KMT2APOLBKDM4E
Hydrochloric Acid SCHEMBL9426435 0.82 MEN1 (0.47) NPC1MEN1KMT2APOLBKDM4E
SCHEMBL9426828 0.80 MTNR1B (0.64) NPC1MEN1KMT2APOLBKDM4E
SCHEMBL9425645 0.76 NPC1 (0.54) NPC1MEN1KMT2APOLBKDM4E
SCHEMBL9155811 0.75 NPC1 (0.53) NPC1MEN1KMT2APOLBKDM4E
SCHEMBL9426204 0.74 KMT2A (0.47) NPC1MEN1KMT2APOLBKDM4E
SCHEMBL9154232 0.73 ALDH1A1 (0.60) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12541529 0.72 NPC1 (0.82) NPC1MEN1KMT2APOLBKDM4E

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
US-5340809-A Antihypoxic, antiischemic agents ADIR ET COMPAGNIE (FR) 1994-08-23 US claimed
US-5340809-A Antihypoxic, antiischemic agents ADIR ET COMPAGNIE (FR) 1994-08-23 US disclosed