SCHEMBL9761376

SCHEMBL9761376

NCCCCCCc1nc(N)c([N+](=O)[O-])[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KCNJ1 P48048 1/20 0.35
PKM P14618 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
RAB9A P51151 1/20 0.31
PI4KA P42356 1/20 0.30
PI4K2B Q8TCG2 1/20 0.30
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL9762175 0.80 MAPT (0.33) MAPTALDH1A1LMNAKCNJ1PKM
SCHEMBL9760948 0.74 CYP1A2 (0.36) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9761847 0.74 NPC1 (0.51) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL9762702 0.73 MAPT (0.33) MAPTALDH1A1TDP1
SCHEMBL9761370 0.70 KDM4E (0.34) KDM4EMEN1KMT2A
SCHEMBL30721382 0.69 HRH1 (0.39) MAPTALDH1A1LMNAKCNJ1PKM
SCHEMBL9761640 0.69 HRH1 (0.33)
SCHEMBL10398923 0.69 HRH1 (0.36) MAPTALDH1A1LMNAKCNJ1
SCHEMBL9762396 0.69 MAPT (0.33) MAPT
SCHEMBL9762720 0.66 DHFR (0.33) ALDH1A1DHFRNPC1MITFRAB9A

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