SCHEMBL9760927

SCHEMBL9760927

CCCCCCc1[nH]nc([N+](=O)[O-])c1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 6/20 0.39
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 6/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.32
RAB9A P51151 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL9762150 0.75 KMT2A (0.48) KMT2ASMN1; SMN2MAPTL3MBTL1ATM
SCHEMBL9761085 0.72 MAPT (0.40) KMT2AMAPTL3MBTL1ATMLMNA
SCHEMBL9761689 0.72 KCNH2 (0.36) MAPTALDH1A1
SCHEMBL9761357 0.68 HPGD (0.37) KMT2ASMN1; SMN2MAPTLMNAHPGD
SCHEMBL9761212 0.67 PARP1 (0.36) KMT2ASMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL9762357 0.62 L3MBTL1 (0.35) KMT2ASMN1; SMN2MAPTL3MBTL1ATM
SCHEMBL9761839 0.62 KMT2A (0.46) KMT2AMAPTL3MBTL1ATMHTT
SCHEMBL9761709 0.62 KMT2A (0.39) KMT2AMAPTL3MBTL1LMNAHTT
SCHEMBL9761852 0.62 L3MBTL1 (0.41) KMT2ASMN1; SMN2MAPTL3MBTL1ATM
SCHEMBL9762508 0.62 ALDH1A1 (0.43) KMT2ASMN1; SMN2MAPTHTTALDH1A1

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