SCHEMBL693706

SCHEMBL693706

Cc1[nH]c2ccccc2c1Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CYP3A4 P08684 1/20 0.50
KRAS P01116 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 3/20 0.48
POLB P06746 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
SNCA P37840 1/20 0.47
HTR6 P50406 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 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
SCHEMBL693485 0.83 PTGS1 (0.60) MAPTCYP3A4KRASALDH1A1HTT
SCHEMBL6920607 0.82 MAPT (0.61) MAPTCYP3A4KRASALDH1A1HTT
SCHEMBL715972 0.82 PTGS1 (0.43) MAPTKDM4EPTGS1PTGS2SNCA
SCHEMBL5116259 0.80 PTGS2 (0.76) PTGS1PTGS2SNCASLC2A1
SCHEMBL31744679 0.80 KDM4E (0.51) MAPTCYP3A4KRASALDH1A1HTT
SCHEMBL18383120 0.79 MAPT (0.69) MAPTCYP3A4KRASALDH1A1HTT
SCHEMBL3078541 0.75 HTT (0.57) MAPTCYP3A4KRASALDH1A1HTT
SCHEMBL4053484 0.74 MAPT (0.54) MAPTCYP3A4KRASALDH1A1HTT
SCHEMBL11037210 0.74 KRAS (0.56) MAPTCYP3A4KRASALDH1A1HTT
SCHEMBL31744696 0.74 MAPT (0.54) MAPTCYP3A4KRASALDH1A1HTT

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-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