SCHEMBL693485

SCHEMBL693485

Cc1[nH]c2ccccc2c1Cc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
MAPT P10636 4/20 0.54
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
TSHR P16473 1/20 0.53
KRAS P01116 1/20 0.52
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.50
HTR6 P50406 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 2/20 0.48
ALKBH3 Q96Q83 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6920607 0.86 MAPT (0.61) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL3078541 0.85 HTT (0.57) PTGS1PTGS2MAPTCYP3A4ALDH1A1
SCHEMBL31744696 0.84 MAPT (0.54) PTGS1PTGS2MAPTCYP3A4ALDH1A1
SCHEMBL693706 0.83 MAPT (0.50) PTGS1PTGS2MAPTCYP3A4ALDH1A1
SCHEMBL31558741 0.83 MAPT (0.53) PTGS1PTGS2MAPTCYP3A4ALDH1A1
SCHEMBL18383120 0.82 MAPT (0.69) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL4443613 0.81 MAPT (0.51) PTGS1PTGS2MAPTCYP3A4ALDH1A1
SCHEMBL19865772 0.81 MAPT (0.55) PTGS1PTGS2MAPTCYP3A4ALDH1A1
SCHEMBL11037210 0.81 KRAS (0.56) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL4053484 0.81 MAPT (0.54) MAPTCYP3A4ALDH1A1HTTTSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421851-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-02-29 EP disclosed
WO-2010124102-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
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