SCHEMBL8563546

SCHEMBL8563546

O=[N+]([O-])c1cc(C2CCNCC2)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.40
HTR6 P50406 2/20 0.40
ADRB2 P07550 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL8567840 0.76 POLB (0.47) MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL21138823 0.73 ADRB2 (0.56) HTR2CHTR6ADRB2MEN1KMT2A
SCHEMBL21138824 0.73 HTR2C (0.50) HTR2CHTR6ADRB2MEN1KMT2A
SCHEMBL8562365 0.73 ACHE (0.40) HTR2CHTR6MEN1KMT2ASLC18A3
SCHEMBL8597133 0.72 HTR2A (0.39) HTR2CMEN1KMT2ASLC18A3SIGMAR1
SCHEMBL8562847 0.72 ACHE (0.42) HTR6MEN1KMT2ASLC18A3SIGMAR1
SCHEMBL3298254 0.70 KMT2A (0.54) MEN1KMT2A
SCHEMBL22648456 0.70 HTR2C (0.40) HTR2CHTR6ADRB2MEN1KMT2A
SCHEMBL8569955 0.69 KMT2A (0.42) MEN1KMT2A
SCHEMBL3956436 0.69 NCF1 (0.51) MEN1KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed