SCHEMBL8689902

SCHEMBL8689902

O=C(O)NC(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACE P12821 1/20 0.41
ECE1 P42892 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
TACR3 P29371 1/20 0.38
CTSL P07711 1/20 0.38
CTRB1 P17538 1/20 0.38
CYP2D6 P10635 1/20 0.38
SRC P12931 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
TACR1 P25103 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL250886 0.85 TACR3 (0.49) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL1953208 0.76 MAPK1 (0.48) LMNAKMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL16989173 0.73 TACR3 (0.49) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL16989172 0.73 TACR3 (0.49) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL15270025 0.73 RIPK1 (0.46) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL19305456 0.71 RIPK1 (0.45) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL10338251 0.70 GAA (0.50) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL17777055 0.70 TACR3 (0.47) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL9405485 0.70 LMNA (0.48) LMNAKMT2ACYP2D6SRCHDAC3
SCHEMBL6398252 0.70 CYP2D6 (0.44) LMNAKMT2APOLBCTRB1CYP2D6

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
US-5747420-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-05 US disclosed
EP-0711761-A1 Tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-05-15 EP disclosed