SCHEMBL9761852

SCHEMBL9761852

CCc1nc([N+](=O)[O-])c(N2CCOCC2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TACR2 P21452 1/20 0.35

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
SCHEMBL9762508 0.69 ALDH1A1 (0.43) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL22375160 0.69 GAA (0.46) L3MBTL1MAPTALDH1A1HTTLMNA
SCHEMBL9761404 0.68 KMT2A (0.56) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL9761816 0.67 GAA (0.45) KMT2AMAPTALDH1A1HTTLMNA
SCHEMBL9761839 0.64 KMT2A (0.46) L3MBTL1ATMKMT2AMAPTALDH1A1
SCHEMBL9760872 0.64 SMN1; SMN2 (0.46) L3MBTL1ATMKMT2AMEN1MAPT
SCHEMBL9760917 0.64 GAA (0.45) L3MBTL1KMT2AMAPTALDH1A1HTT
SCHEMBL9761124 0.64 KMT2A (0.52) KMT2AMEN1TSHRHSD17B10MAPT
SCHEMBL9762150 0.62 KMT2A (0.48) L3MBTL1ATMKMT2AMEN1TSHR
SCHEMBL11833197 0.62 ALDH1A1 (0.50) KMT2AMEN1MAPTALDH1A1HTT

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-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed