SCHEMBL30723540

SCHEMBL30723540

O=[N+]([O-])c1cccc(Cl)c1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 6/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
APEX1 P27695 1/20 0.42
HSPB1 P04792 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL21596978 1.00 MAPT (0.47) MAPTPOLBHPGDALDH1A1CYP3A4
SCHEMBL28150027 0.81 HSPB1 (0.49) MAPTALDH1A1TDP1TSHRHIF1A
SCHEMBL16953062 0.80 TSHR (0.53) MAPTALDH1A1TDP1TSHRHSPB1
SCHEMBL16953059 0.80 TDP1 (0.41) MAPTPOLBALDH1A1TDP1TSHR
SCHEMBL1610862 0.80 TDP1 (0.41) MAPTPOLBALDH1A1CYP3A4CYP2D6
SCHEMBL10532607 0.80 MAPT (0.44) MAPTPOLBHPGDALDH1A1CYP3A4
SCHEMBL8989557 0.79 HPGD (0.51) MAPTPOLBHPGDALDH1A1CYP3A4
SCHEMBL28024174 0.79 HPGD (0.61) MAPTPOLBHPGDALDH1A1TDP1
SCHEMBL6815559 0.78 APEX1 (0.46) MAPTPOLBHPGDALDH1A1CYP3A4
SCHEMBL8978656 0.78 KMT2A (0.38) MAPTALDH1A1CYP2C19CYP1A2TDP1

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-112292375-B Substituted alkoxypyridinyl indole sulfonamides 优时比制药有限公司 2023-12-05 CN disclosed