SCHEMBL6991892

SCHEMBL6991892

c1ccc2cc(Cc3cc4ccccc4[nH]3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
AHR P35869 3/20 0.51
IDO1 P14902 1/20 0.51
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
PCSK9 Q8NBP7 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL30105384 0.83 LOXL2 (0.60) LOXL2AHRIDO1PCSK9
SCHEMBL3193871 0.83 LOXL2 (0.60) LOXL2AHRIDO1PCSK9
SCHEMBL28338445 0.82 LOXL2 (0.69) LOXL2AHRPCSK9HRH3
SCHEMBL401081 0.82 LOXL2 (0.69) LOXL2AHRPCSK9HRH3
SCHEMBL29403791 0.82 LOXL2 (0.69) LOXL2AHRPCSK9HRH3
Hydrochloric Acid SCHEMBL27754931 0.81 LOXL2 (0.58) LOXL2AHRIDO1
Bromide SCHEMBL30437340 0.81 LOXL2 (0.58) LOXL2AHRIDO1PCSK9
SCHEMBL7494967 0.81 PCSK9 (0.50) LOXL2AHRPCSK9
SCHEMBL3260101 0.81 DRD2 (0.49)
SCHEMBL3262489 0.81 RAB9A (0.48) LOXL2AHRIDO1CYP2A6

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