SCHEMBL24265151

SCHEMBL24265151

CCOC(=O)Cn1nc(-c2ccccc2)cc1C(CI)CCI

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
ALDH1A1 P00352 5/20 0.51
TSHR P16473 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 3/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 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
SCHEMBL5324181 0.79 HTT (0.74) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL15656249 0.77 ALDH1A1 (0.77) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL15654670 0.73 HTT (0.65) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL16566259 0.73 ALDH1A1 (0.55) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL5283603 0.72 HTT (0.60) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL26508519 0.70 HTT (0.61) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL26508546 0.70 HTT (0.60) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL5298727 0.68 ALDH1A1 (0.57) HTTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL8684343 0.68 HTT (0.57) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL5323778 0.68 ALDH1A1 (0.57) HTTALDH1A1TSHRMEN1KMT2A

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
WO-2022037648-A1 PYRAZOLE BORONIC ACID COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USES THEREOF 北京大学 2022-02-24 WO disclosed