SCHEMBL5746080

SCHEMBL5746080

Nc1cc(-c2ccccc2)sc1CC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
IKBKB O14920 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
BTK Q06187 1/20 0.49
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 4/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 4/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL15703550 0.80 KDM4E (0.38) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13093697 0.77 IKBKB (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL19798164 0.73 PTGS1 (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4260936 0.72 IKBKB (0.59) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5491089 0.70 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL15574621 0.70 MAPT (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27712393 0.70 MAPT (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27655295 0.68 MAPT (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6232939 0.67 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4976048 0.67 IKBKB (0.53) MAPTALDH1A1MEN1KMT2AKDM4E

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
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed