SCHEMBL7974800

SCHEMBL7974800

Cc1cc2c(cc1[N+](=O)[O-])c1ccccc1n2C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
MAPT P10636 5/20 0.43
NPY5R Q15761 3/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RORC P51449 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL22336451 0.80 KMT2A (0.54) MEN1KMT2AMAPTNPY5RBCHE
SCHEMBL6986693 0.80 MEN1 (0.56) MEN1KMT2AMAPTNPY5RLMNA
SCHEMBL1149958 0.78 MEN1 (1.00) MEN1KMT2AMAPTNPY5RLMNA
SCHEMBL13049601 0.76 KMT2A (0.50) MEN1KMT2AMAPTNPY5RBCHE
SCHEMBL6827501 0.76 MEN1 (0.54) MEN1KMT2AMAPTNPY5RLMNA
SCHEMBL27604176 0.75 KMT2A (0.57) MEN1KMT2AMAPTNPY5RLMNA
SCHEMBL7976761 0.73 TDP1 (0.36) MEN1KMT2AMAPTLMNAHSD17B10
SCHEMBL150044 0.73 BCHE (0.59) MEN1KMT2AMAPTNPY5RLMNA
SCHEMBL29780042 0.73 BCHE (0.59) MEN1KMT2AMAPTNPY5RLMNA
SCHEMBL12320800 0.71 POLB (0.57) MEN1KMT2AMAPTLMNAHSD17B10

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed