SCHEMBL24166757

SCHEMBL24166757

O=CNc1ccc(-c2nn[nH]n2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.38
RPA1 P27694 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
XDH P47989 5/20 0.36
PFKFB3 Q16875 2/20 0.36
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
ATM Q13315 1/20 0.34
CCNC P24863 1/20 0.33
MAP3K8 P41279 1/20 0.33
CDK8 P49336 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PFKFB4 Q16877 1/20 0.33

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
SCHEMBL13113384 0.69 RPA1 (0.48) ADH5RPA1ALDH1A1MEN1KMT2A
SCHEMBL18896243 0.69 ADH5 (0.60) ADH5RPA1ALDH1A1XDHATM
SCHEMBL27970829 0.69 ALDH1A1 (0.42) ALDH1A1
SCHEMBL14368338 0.65 KDM4E (0.58) ALDH1A1L3MBTL1PFKFB3ATM
SCHEMBL28601753 0.62 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL2440011 0.62
SCHEMBL29021863 0.61 RAB9A (0.47) ALDH1A1MEN1KMT2A
SCHEMBL14368329 0.60
SCHEMBL4964168 0.60
SCHEMBL18511306 0.60 ALDH1A1 (0.37) ALDH1A1

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-2021260635-A1 COMPOSITIONS FOR ELASTOMERIC COMPOUNDS COMPRISING TETRAZOLE COMPATIBILIZING AGENTS AND TYRES COMPRISING THE SAME PIRELLI TYRE S.P.A. (IT) 2021-12-30 WO disclosed