SCHEMBL6689991

SCHEMBL6689991

O=C(NC(c1ccccc1)c1c[nH]nc1-c1cccs1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MAPK1 P28482 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MTOR P42345 1/20 0.40
MMP12 P39900 2/20 0.39
MMP13 P45452 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL6691606 0.91 HSD17B2 (0.41) MAPTMAPK1HTTLMNASMN1; SMN2
SCHEMBL6678578 0.87 MAPT (0.42) MAPTMAPK1HTTLMNASMN1; SMN2
SCHEMBL6679654 0.83 TRPM8 (0.45) MAPTMAPK1HTTLMNASMN1; SMN2
SCHEMBL6698055 0.80 ALDH1A1 (0.42) MAPTMAPK1HTTLMNASMN1; SMN2
SCHEMBL6689149 0.76 GPR139 (0.39) MAPTMAPK1HTTLMNASMN1; SMN2
SCHEMBL6677495 0.74 SMN1; SMN2 (0.48) MAPTMAPK1LMNASMN1; SMN2MEN1
SCHEMBL4916663 0.70 FGFR2 (0.37) MAPTMAPK1HTTSMN1; SMN2MEN1
SCHEMBL6693365 0.69 ALDH1A1 (0.59) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL14082967 0.68 TRPV1 (0.66) MAPTMEN1KMT2AALDH1A1DRD4
SCHEMBL3640854 0.66 MAPT (0.49) MAPTHTTLMNASMN1; SMN2MEN1

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 1 patent. 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