SCHEMBL29208503

SCHEMBL29208503

C#Cc1ccc(OC(=O)C2CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ELANE P08246 2/20 0.56
POLB P06746 3/20 0.47
HPGD P15428 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
F2 P00734 1/20 0.44
MEN1 O00255 2/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.41
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL21400167 0.89 HTT (0.51) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL11823665 0.86 KMT2A (0.83) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL10987727 0.85 HTT (0.47) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL10987720 0.85 HTT (0.47) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL28237429 0.84 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL10986181 0.83 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL10986185 0.83 KMT2A (0.45) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL10991574 0.82 HTT (0.44) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL10991570 0.82 HTT (0.44) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL10991899 0.81 HTT (0.43) KMT2AHTTSMN1; SMN2TDP1ELANE

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-117813284-A Halogenated acethydrazide as AEP inhibitor 豪夫迈·罗氏有限公司 2024-04-02 CN disclosed