SCHEMBL13634368

SCHEMBL13634368

Cc1cc(C2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPBWR1 P48145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MCHR1 Q99705 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
DRD2 P14416 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL1546958 0.86 MAPK1 (0.49) MAPK1MEN1KMT2AMAPTPKM
SCHEMBL1546481 0.85 HTT (0.56) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2771960 0.82 CCR5 (0.52) KDM4EALDH1A1DRD2LMNASIGMAR1
SCHEMBL2946817 0.80 HPGD (0.45) BLML3MBTL1MEN1KMT2AKDM4E
SCHEMBL4190305 0.80 KMT2A (0.61) MAPK1MEN1KMT2AMAPTPKM
SCHEMBL4190298 0.80 KMT2A (0.61) MAPK1MEN1KMT2AMAPTPKM
SCHEMBL4192734 0.80 KMT2A (0.61) MAPK1MEN1KMT2AMAPTPKM
SCHEMBL13634377 0.79 DRD2 (0.50) MEN1KMT2ABCHEACHEBACE1
SCHEMBL15352809 0.78 MAPK1 (0.48) BLML3MBTL1MAPK1MEN1KMT2A
SCHEMBL227230 0.78 MAPK1 (0.58) L3MBTL1MAPK1MEN1KMT2AMAPT

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed