SCHEMBL5333422

SCHEMBL5333422

C=CCC1N[C]=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1A P08908 1/20 0.30

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
SCHEMBL9595697 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6533518 0.70 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27297997 0.67 MAOA (0.30)
SCHEMBL6203965 0.67
SCHEMBL7790870 0.63 HTR2A (0.32)
SCHEMBL9665498 0.63 ATM (0.36) ALDH1A1MAPTATM
SCHEMBL6066100 0.62 HTR1A (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16859501 0.61 HSD17B10 (0.55) ALDH1A1KDM4E
SCHEMBL292407 0.61 HTR6 (0.49) KDM4EMEN1KMT2AHTR1A
SCHEMBL30167262 0.60 PRCP (0.59) ALDH1A1KDM4EMAPT

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-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP claimed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO claimed
EP-1863771-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS Transtech Pharma, Inc. (US) 2007-12-12 EP disclosed
WO-2006099379-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2006-09-21 WO disclosed