SCHEMBL10434136

SCHEMBL10434136

Cc1ccc(-n2cnc([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
PKM P14618 3/20 0.43
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL25198959 0.83 HTR2A (0.58) HTR2AHTR2CHTR2BPKMMAPT
SCHEMBL17631815 0.83 HTR2A (0.58) HTR2AHTR2CHTR2BMAPTMEN1
SCHEMBL17632850 0.83 HTR2A (0.58) HTR2AHTR2CHTR2BMAPTLMNA
SCHEMBL25196369 0.83 HTR2A (0.62) HTR2AHTR2CHTR2BMAPTMEN1
SCHEMBL10434133 0.83 HTR2A (0.58) HTR2AHTR2CHTR2BPKMMAPT
SCHEMBL19031388 0.83 HTR2A (0.57) HTR2AHTR2CHTR2BPKMMAPT
SCHEMBL25191480 0.83 HTR2A (0.54) HTR2AHTR2CHTR2BPKMACHE
SCHEMBL9158986 0.82 HTR2A (0.57) HTR2AHTR2CHTR2BMAPTSMN1; SMN2
SCHEMBL25219944 0.81 HTR2A (0.67) HTR2AHTR2CHTR2BPKMMAPT
SCHEMBL25198136 0.81 HTR2A (0.56) HTR2AHTR2CHTR2BPKMMAPT

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
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP disclosed