SCHEMBL6995469

SCHEMBL6995469

COc1ccc(Cc2cc3ccccc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.60
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
CNR1 P21554 2/20 0.53
LTA4H P09960 1/20 0.51
MET P08581 1/20 0.49
KDR P35968 1/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.49
GAA P10253 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
SCHEMBL28182294 0.86 AHR (0.48) AHRKDM4EMAPTNPC1RAB9A
SCHEMBL7493650 0.85 AHR (0.57) AHRKDM4EMAPTNPC1RAB9A
SCHEMBL6995767 0.84 AHR (0.67) AHRKDM4EMAPTNPC1RAB9A
SCHEMBL10443687 0.83 LOXL2 (0.63) AHRKDM4EMAPTNPC1RAB9A
SCHEMBL7502282 0.82 PCSK9 (0.57) AHRCNR1LOXL2
SCHEMBL3193871 0.81 LOXL2 (0.60) AHRLOXL2
SCHEMBL30105384 0.81 LOXL2 (0.60) AHRLOXL2
SCHEMBL5222703 0.81 CDC25B (0.58) AHRKDM4EMAPTNPC1RAB9A
SCHEMBL7498412 0.81 MEN1 (0.47) AHRNPC1RAB9ASMN1; SMN2LOXL2
SCHEMBL6991892 0.80 LOXL2 (0.55) AHRSMN1; SMN2LOXL2

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 5 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
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 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
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 WO disclosed
US-3987059-A ALKYL LITHIUM, CYCLIZATION, DEMETALLIZATION SANDOZ, INC. (US) 1976-10-19 US disclosed