SCHEMBL9761650

SCHEMBL9761650

CN(C)c1c([N+](=O)[O-])nsc1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 9/20 0.38
MAPT P10636 7/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 5/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 2/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL9762562 0.70 ALDH1A1 (0.38) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL9762572 0.70 GAA (0.36) ALDH1A1MAPTHTT
SCHEMBL9761185 0.69 L3MBTL1 (0.40) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL9761168 0.68 GAA (0.35) ALDH1A1MAPTHPGDHTT
SCHEMBL9762166 0.68 MAPT (0.46) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL14704156 0.66 MAPT (0.49) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL9762357 0.66 L3MBTL1 (0.35) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL9760872 0.65 SMN1; SMN2 (0.46) L3MBTL1KMT2AALDH1A1MAPTLMNA
SCHEMBL9762544 0.63 GAA (0.31)
SCHEMBL9761709 0.62 KMT2A (0.39) L3MBTL1KMT2AALDH1A1MAPTLMNA

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