SCHEMBL29180239

SCHEMBL29180239

O=c1o[c]cc2c(Cl)cc(C(F)(F)F)cc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
C1R P00736 1/20 0.30
NOTUM Q6P988 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5546147 0.68 ALDH1A1 (0.32) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL14698522 0.64 MAOA (0.40) DDR1KDM4EC1RNOTUM
SCHEMBL23689986 0.63 DDR1 (0.40) DDR1KDM4EMAPTLMNA
SCHEMBL18035349 0.62 JAK2 (0.46) DDR1ALDH1A1CYP3A4HPGDTDP1
SCHEMBL5600046 0.62 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL981089 0.61 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL533215 0.60 MCL1 (0.39) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL668872 0.59 PDE2A (0.41) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL22366856 0.59 GABRB3 (0.44) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL15850522 0.59 PDE2A (0.41) ALDH1A1CYP3A4HPGDALOX15TSHR

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
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 CN disclosed