SCHEMBL21596907

SCHEMBL21596907

Nc1onc2cccc([N+](=O)[O-])c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GPR35 Q9HC97 1/20 0.40
EGFR P00533 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FGFR1 P11362 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL8378461 0.73 KDR (0.47) TYMSTDP1MEN1KMT2AGAA
SCHEMBL29652402 0.73 KDR (0.47) TYMSTDP1MEN1KMT2AGAA
SCHEMBL93759 0.70 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2POLBTDP1
SCHEMBL11684263 0.70 TXNRD1 (0.50) TYMSTXNRD1TXNRD3TXNRD2POLB
SCHEMBL21712254 0.70 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2POLBTDP1
SCHEMBL22978840 0.70 CCNT1 (0.47) TYMSTXNRD1TXNRD3TXNRD2POLB
SCHEMBL27789837 0.70 POLB (0.54) TYMSTXNRD1TXNRD3TXNRD2POLB
SCHEMBL6972440 0.70 DHFR (0.57) TYMSTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL21596942 0.69 BACE1 (0.40) TYMSSMN1; SMN2CA1CA2CA4
SCHEMBL21596915 0.69 PARP1 (0.41) GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed