SCHEMBL10738091

SCHEMBL10738091

O=C(F)c1ccc(Cl)cc1SC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HIF1A Q16665 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL10407689 0.88 SMN1; SMN2 (0.52) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11298759 0.73 CYP3A4 (0.48) TSHRSMN1; SMN2ALDH1A1HPGDHIF1A
SCHEMBL13816918 0.71 ITGB2 (0.46) TSHRALDH1A1HPGDHIF1AMEN1
SCHEMBL13816982 0.69 CCR2 (0.36) SMN1; SMN2ALDH1A1HPGDHIF1AMEN1
SCHEMBL27028671 0.68 PDE7A (0.34) TSHRSMN1; SMN2ALDH1A1HPGDHIF1A
SCHEMBL10967073 0.68 CYP3A4 (0.33) ALDH1A1HPGDHIF1AMEN1KMT2A
SCHEMBL10672960 0.68 MAPT (0.43) TSHRCASP1SMN1; SMN2ALDH1A1MEN1
SCHEMBL10541315 0.66 ALDH1A1 (0.68) TSHRCASP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9692043 0.66 ALDH1A1 (0.50) TSHRCASP1SMN1; SMN2ALDH1A1HIF1A
SCHEMBL8769572 0.66 TSHR (0.45) TSHRCASP1SMN1; SMN2ALDH1A1HPGD

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-4673740-A Preparation of substituted 2-phenyl-4H-3,1-benzoxazin-4-ones BASF AKTIENGESELLSCHAFT (DE) 1987-06-16 US disclosed