SCHEMBL9725140

SCHEMBL9725140

O=C(c1ccc(C(=O)c2ccccc2F)s1)c1ccccc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
HPGD P15428 3/20 0.68
MAPT P10636 3/20 0.66
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
ALOX15 P16050 1/20 0.52
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
RAB9A P51151 1/20 0.45
NPC1 O15118 1/20 0.44
PTPN1 P18031 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43

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
SCHEMBL30293901 0.82 CES2 (0.71) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL250099 0.82 CES2 (0.71) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL7820997 0.82 KMT2A (1.00) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL27185988 0.80 CES2 (0.68) ALDH1A1KMT2AMEN1HPGDMAPT
Hydrochloric Acid SCHEMBL27733532 0.80 CES2 (0.68) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL31574193 0.80 CES2 (0.68) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL9725163 0.77 HSD17B1 (0.61) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL10759830 0.76 CES2 (0.62) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL15100937 0.75 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL29433447 0.74 AKR1C3 (0.61) ALDH1A1KMT2AMEN1HPGDMAPT

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
EP-0500493-A1 Novel poly(arylene etherketones) CIBA-GEIGY AG (CH) 1992-08-26 EP disclosed