SCHEMBL9750642

SCHEMBL9750642

CC(C)(C)Nc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
CRHR1 P34998 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
P2RY1 P47900 2/20 0.35
POLB P06746 1/20 0.35
PI4KB Q9UBF8 3/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GFER P55789 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CG P48736 1/20 0.33
DHODH Q02127 1/20 0.32

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
SCHEMBL9750606 0.80 P2RY1 (0.51) MAPTALDH1A1HPGDTSHRP2RY1
SCHEMBL5546372 0.79 CCNA2 (0.45) MAPTCRHR1ALDH1A1HPGDTSHR
SCHEMBL1928591 0.78 MAPT (0.36) MAPTCRHR1ALDH1A1HPGDTSHR
SCHEMBL8554826 0.78 ALDH1A1 (0.50) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL3748422 0.78 LCK (0.48) PI4KB
Hydrochloric Acid SCHEMBL8554359 0.77 ALDH1A1 (0.49) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL9750613 0.76 RAB9A (0.55) MAPTHPGDTSHRP2RY1NPC1
SCHEMBL1539932 0.76 P2RY1 (0.33) MAPTCRHR1ALDH1A1P2RY1POLB
SCHEMBL28144507 0.75 ALDH1A1 (0.49) MAPTCRHR1ALDH1A1HPGDPOLB
SCHEMBL5528567 0.75 MAPT (0.40) MAPTALDH1A1HPGDTSHRPOLB

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-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US claimed