SCHEMBL29951759

SCHEMBL29951759

O=Cc1cnc([N+](=O)[O-])c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ERN1 O75460 2/20 0.39
TTR P02766 1/20 0.38
PTGS2 P35354 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ABL2 P42684 1/20 0.35
VCAM1 P19320 1/20 0.35
SNCA P37840 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
SCHEMBL9622184 0.77 MAPT (0.36) TTRKDM4ERAB9ASNCA
SCHEMBL8566803 0.76 ALOX15 (0.44) KDM4ERAB9A
SCHEMBL29956980 0.75 XDH (0.54) XDHALDH5A1ABATERN1TTR
SCHEMBL7494690 0.74 SMN1; SMN2 (0.42) KDM4ERAB9A
SCHEMBL5582938 0.74 MAPK1 (0.36) ALDH5A1ABATTTRKDM4ERAB9A
SCHEMBL2586421 0.74 MAPT (0.41) ERN1TTRKDM4ERAB9ASNCA
SCHEMBL12179353 0.74 MAPT (0.34) TTRKDM4ERAB9ASNCA
SCHEMBL2340132 0.74 KDM4E (0.38) TTRKDM4E
SCHEMBL21484861 0.72 KDM4E (0.46) XDHALDH5A1ABATERN1PTGS2
SCHEMBL488755 0.71 TPMT (0.44) PTGS2KDM4ESNCA

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed