SCHEMBL9761085

SCHEMBL9761085

O=[N+]([O-])c1n[nH]c(O)c1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 4/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C19 P33261 2/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL9760927 0.72 KMT2A (0.42) MAPTLMNAL3MBTL1KMT2AALDH1A1
SCHEMBL15318232 0.72 CYP2C9 (0.44) MAPTKMT2AALDH1A1CYP2C9HPGD
SCHEMBL9761405 0.68 MAPT (0.46) MAPTLMNAL3MBTL1ALDH1A1CYP1A2
SCHEMBL9762552 0.68 CYP1A2 (0.44) MAPTPKMLMNAKMT2AALDH1A1
SCHEMBL9761839 0.67 KMT2A (0.46) MAPTPKML3MBTL1KMT2AALDH1A1
SCHEMBL9761709 0.67 KMT2A (0.39) MAPTLMNAL3MBTL1KMT2AALDH1A1
SCHEMBL3636660 0.65 MAPT (0.33) MAPTLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL9761185 0.65 L3MBTL1 (0.40) MAPTLMNAL3MBTL1KMT2AALDH1A1
SCHEMBL9762559 0.65 ALDH1A1 (0.49) MAPTPKML3MBTL1KMT2AALDH1A1
SCHEMBL9762596 0.64 MAPT (0.31) MAPT

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