SCHEMBL27479698

SCHEMBL27479698

[CH2]Cc1ccc(N(C(N)=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSD P07339 1/20 0.39
PLAU P00749 1/20 0.37
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
SLC9A1 P19634 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 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
SCHEMBL27311079 0.86 PLAU (0.42) MEN1KMT2ACTSDPLAUNPSR1
SCHEMBL29006882 0.81 PLAU (0.46) MEN1KMT2ACTSDPLAUALDH1A1
SCHEMBL27476794 0.79 TRPM8 (0.38) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL27493046 0.79 BCL2A1 (0.37) MEN1KMT2ARAB9ANPSR1ALDH1A1
SCHEMBL27478927 0.78 NPSR1 (0.45) KMT2ARAB9ANPSR1ALDH1A1NPC1
SCHEMBL27317328 0.76 MGLL (0.38) MEN1KMT2ACTSDRAB9AALDH1A1
SCHEMBL27493797 0.76 PTGIR (0.41) MEN1KMT2ACTSDRAB9ANPSR1
SCHEMBL27587706 0.75 GPR35 (0.50) MEN1KMT2ACTSDPLAUNPSR1
SCHEMBL28424914 0.74 HSD17B10 (0.51) MEN1KMT2ACTSDPLAURAB9A
SCHEMBL9818604 0.74 NPC1 (0.43) MEN1KMT2ACTSDPLAURAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177343-A Cell adhesion inhibitors BIOGEN INC (US) 1998-03-25 CN claimed
CN-1177343-A Cell adhesion inhibitors BIOGEN INC (US) 1998-03-25 CN disclosed