SCHEMBL6994150

SCHEMBL6994150

Cc1ccc2cc(Cc3ccc(F)cc3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.44
DDO Q99489 1/20 0.44
PCSK9 Q8NBP7 2/20 0.44
ALKBH3 Q96Q83 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
ITK Q08881 1/20 0.43
KDM4E B2RXH2 4/20 0.43
PKM P14618 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
NPY5R Q15761 1/20 0.41
KIF11 P52732 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6993972 0.91 DAO (0.44) DAODDOPCSK9ALKBH3NR3C1
SCHEMBL6995615 0.88 LOXL2 (0.57) DAOPCSK9ALKBH3NR3C1PGR
SCHEMBL6990951 0.87 DAO (0.49) DAODDOPCSK9NR3C1PGR
SCHEMBL6943878 0.81 DAO (0.40) DAODDONPY5RPOLBGAA
SCHEMBL6992345 0.81 SIGMAR1 (0.46) DAODDOPCSK9LOXL2
SCHEMBL6994522 0.79 LOXL2 (0.53) PCSK9LOXL2
SCHEMBL6993553 0.76 PTGS2 (0.50) DAODDOPTGS1PTGS2
SCHEMBL7502282 0.76 PCSK9 (0.57) PCSK9LOXL2
Hydroxyamine SCHEMBL4796191 0.75 NR4A2 (0.46) DAODDOITKKDM4EALDH1A1
SCHEMBL10412904 0.74 MAPT (0.64) DAODDOPCSK9ITKKDM4E

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-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed