SCHEMBL6686099

SCHEMBL6686099

COc1ccc(C(=O)C=Cc2cn(-c3ccc(F)cc3)nc2-c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 7/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.54
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP1B1 Q16678 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 5/20 0.49
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
HPGD P15428 3/20 0.48
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6683010 0.92 MAPT (0.62) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6689637 0.92 ALDH1A1 (0.65) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6691518 0.91 PTGS1 (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6684359 0.90 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6687647 0.89 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6689380 0.88 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6684428 0.88 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6678024 0.86 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6687984 0.86 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6689596 0.86 HDAC1 (0.66) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO claimed
WO-2004043951-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS CAREX S.A. (FR) 2004-05-27 WO disclosed