SCHEMBL6683010

SCHEMBL6683010

O=C(C=Cc1cn(-c2ccc(F)cc2)nc1-c1cccnc1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 9/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
KDM4E B2RXH2 4/20 0.62
HTT P42858 3/20 0.62
LMNA P02545 2/20 0.62
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 3/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
POLB P06746 3/20 0.49
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
RAB9A P51151 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
SCHEMBL6684428 0.95 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6689380 0.95 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6678024 0.93 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6687984 0.93 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6686099 0.92 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6687647 0.91 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6678048 0.89 ALDH1A1 (0.62) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6688952 0.89 ALDH1A1 (0.59) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6679221 0.88 ALDH1A1 (0.74) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL18742319 0.88 ALDH1A1 (0.74) MAPTSMN1; SMN2ALDH1A1KMT2AMEN1

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