SCHEMBL8977544

SCHEMBL8977544

Cn1ccnc1C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
KMT2A Q03164 3/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
PPARG P37231 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
NTRK1 P04629 2/20 0.42

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
SCHEMBL9817951 0.82 SMN1; SMN2 (0.60) SMN1; SMN2POLBMAPTKDM4EKMT2A
SCHEMBL690501 0.79 KAT6A (0.54) TAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL1556921 0.79 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2PPARGLTC4S
SCHEMBL15197114 0.77 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPTKDM4EKMT2A
SCHEMBL8871157 0.76 TAS1R3 (0.44) MAPTTAS1R3TAS1R1TAS1R2PPARG
SCHEMBL1045991 0.76 SMN1; SMN2 (0.58) SMN1; SMN2MAPTKDM4EKMT2AHTT
SCHEMBL8870672 0.75 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2PPARGNTRK1
SCHEMBL22954042 0.74 KAT6A (0.57) TAS1R3TAS1R1TAS1R2ALDH1A1KAT6A
SCHEMBL30668192 0.74 KAT6A (0.57) TAS1R3TAS1R1TAS1R2ALDH1A1KAT6A
SCHEMBL14297682 0.74 ELANE (0.49) POLBMAPTTAS1R3TAS1R1TAS1R2

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
US-5512537-A 2-benzoyl pyrrole and benzoyl imidazole herbicides ZENECA LIMITED (GB) 1996-04-30 US disclosed