SCHEMBL10646397

SCHEMBL10646397

CSc1c[n+]([O-])ccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PDE7A Q13946 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CCR2 P41597 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ALPG P10696 1/20 0.34
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL15804255 0.77 CYP3A4 (0.39) KMT2AMEN1TDP1SMN1; SMN2MAPT
SCHEMBL30563095 0.76 HSD17B10 (0.50) TDP1SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL172188 0.76 HSD17B10 (0.50) TDP1SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL16029554 0.74 MEN1 (0.52) KMT2AMEN1TDP1SMN1; SMN2MAPT
SCHEMBL4726250 0.73 MAPT (0.43) KMT2AMEN1TDP1SMN1; SMN2MAPT
SCHEMBL3341806 0.73 ALDH1A1 (0.40) KMT2AMEN1TDP1SMN1; SMN2MAPT
SCHEMBL3384869 0.72 PDE7A (0.58) KMT2AMEN1TDP1SMN1; SMN2PDE7A
SCHEMBL741363 0.72 ALDH1A1 (0.36) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL10547254 0.72 GPR35 (0.46) KMT2AMEN1TDP1SMN1; SMN2MAPT
SCHEMBL3059949 0.72 TSHR (0.47) TDP1PDE7ATXNRD1HSD17B10TSHR

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-4767698-A PHOTOSTABILITY, HEAT RESISTANCE AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed