SCHEMBL29192995

SCHEMBL29192995

CN(NC(=O)c1ccncc1Br)C(N)=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SLC6A9 P48067 1/20 0.35
KDM4C Q9H3R0 4/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4D Q6B0I6 2/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29192863 0.80 ALDH1A1 (0.51) ALDH1A1GAATDP1KMT2AMEN1
SCHEMBL2477796 0.76 CA1 (0.56) ALDH1A1KDM4EGAACA1CA9
SCHEMBL22395425 0.74 KDM4E (0.50) CCNCCDK8ALDH1A1KDM4EGLA
SCHEMBL27085802 0.71 ALDH1A1 (0.64) ALDH1A1KDM4EGAACA1CA9
SCHEMBL30694754 0.71 TDP1 (0.55) CCNCCDK8ALDH1A1KDM4EGLA
SCHEMBL5700120 0.71 TDP1 (0.55) CCNCCDK8ALDH1A1KDM4EGLA
SCHEMBL30694749 0.71 TDP1 (0.55) CCNCCDK8ALDH1A1KDM4EGLA
SCHEMBL11341427 0.71 CYP2A6 (0.47) CCNCCDK8ALDH1A1KDM4EGLA
SCHEMBL22684488 0.71 ALDH1A1 (0.42) CCNCCDK8ALDH1A1KDM4EGLA
SCHEMBL15771032 0.69 CCNC (0.38) CCNCCDK8ALDH1A1KDM4EGLA

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-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 CN disclosed