SCHEMBL6989977

SCHEMBL6989977

COc1ccc2cc(Cc3ccc(Cl)cc3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PDGFRB P09619 2/20 0.46
FLT3 P36888 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
AHR P35869 1/20 0.44
CA2 P00918 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
MAPK1 P28482 2/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL6993755 0.89 LOXL2 (0.60) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL6989804 0.83 CYP1A2 (0.52) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL6989136 0.83 DAO (0.49) LOXL2AHRALOX15
SCHEMBL6984140 0.83 CA2 (0.50) MTNR1AMTNR1BPDGFRBFLT3CA2
SCHEMBL7490718 0.81 IMPDH2 (0.48) LOXL2CA2MAPK1TSHRSMN1; SMN2
SCHEMBL6995469 0.78 AHR (0.60) PDGFRBFLT3LOXL2AHRSMN1; SMN2
SCHEMBL7491861 0.78 MAPT (0.45) ALOX15SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5240839 0.77 MTNR1A (0.57) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL23501875 0.75 LOXL2 (0.76) MTNR1AMTNR1BPDGFRBFLT3LOXL2
SCHEMBL22077861 0.75 MTNR1A (0.59) MTNR1AMTNR1BPDGFRBFLT3LOXL2

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 4 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