SCHEMBL9427552

SCHEMBL9427552

CC(=O)c1cccc(-n2cn[nH]c2=S)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
PKM P14618 1/20 0.61
TDP1 Q9NUW8 4/20 0.43
ALOX5 P09917 1/20 0.42
FGFR1 P11362 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9427526 0.86 ALDH1A1 (0.61) ALDH1A1PKMTDP1MEN1KMT2A
SCHEMBL31402337 0.72 HTT (0.56) ALDH1A1TDP1MEN1KMT2AHTT
SCHEMBL3561122 0.72 HTT (0.56) ALDH1A1TDP1MEN1KMT2AHTT
SCHEMBL25876467 0.71 MAPK13 (0.55) ALOX5FGFR1TSHR
SCHEMBL18706507 0.70 RXFP1 (0.49) ALDH1A1TDP1ALOX5FGFR1MEN1
SCHEMBL15866767 0.68 KMT2A (0.50) ALDH1A1TDP1ALOX5MEN1KMT2A
SCHEMBL7628550 0.68 ALDH1A1 (0.56) ALDH1A1PKMTDP1MEN1KMT2A
SCHEMBL7622774 0.67 ALDH1A1 (0.54) ALDH1A1PKMTDP1FGFR1MEN1
SCHEMBL334915 0.67 TP53 (0.71) TDP1MEN1KMT2ARAB9ALMNA
SCHEMBL20589920 0.67 FGFR1 (0.42) TDP1ALOX5FGFR1MEN1KMT2A

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-5310724-A Pre- and postemergence; plant growth regulators FMC CORPORATION (US) 1994-05-10 US disclosed
US-5108486-A Herbicides KANAGAWA CHEMICAL LABORATORY, LTD. (JP) 1992-04-28 US disclosed