SCHEMBL9254566

SCHEMBL9254566

COc1ccc(-c2nc(COc3ccc(C=NO)cc3)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 6/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
TP53 P04637 2/20 0.45
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL9254559 1.00 RAB9A (0.53) RAB9AKDM4EALDH1A1TDP1HPGD
SCHEMBL9253242 0.88 ALOX5 (0.52) RAB9AKDM4ENPC1SMN1; SMN2CASP3
SCHEMBL9253236 0.88 ALOX5 (0.52) RAB9AKDM4ENPC1SMN1; SMN2CASP3
SCHEMBL9090789 0.88 RAB9A (0.47) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL9090792 0.88 RAB9A (0.47) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL9179031 0.88 KDM4E (0.48) RAB9AKDM4EALDH1A1TDP1HPGD
SCHEMBL9179028 0.88 KDM4E (0.48) RAB9AKDM4EALDH1A1TDP1HPGD
SCHEMBL9262429 0.85 ALOX5 (0.48) RAB9AKDM4ENPC1SMN1; SMN2CASP3
SCHEMBL9262438 0.85 ALOX5 (0.48) RAB9AKDM4ENPC1SMN1; SMN2CASP3
SCHEMBL9258868 0.84 MAPT (0.58) RAB9AKDM4EALDH1A1TDP1HPGD

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-5459154-A Enzyme inhibitors as antiinflammatory agents and treatment of atherosclerosis AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-17 US disclosed