SCHEMBL14922778

SCHEMBL14922778

Cc1cccc(/N=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 1.00
HPRT1 P00492 1/20 0.46
TSHR P16473 1/20 0.44
ACHE P22303 1/20 0.44
MAPT P10636 8/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
MCL1 Q07820 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
GALK1 P51570 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL11694187 0.90 HSP90AA1 (0.82) HSP90AA1HPRT1TSHRACHEMAPT
SCHEMBL11694193 0.90 HSP90AA1 (0.82) HSP90AA1HPRT1TSHRACHEMAPT
SCHEMBL12111761 0.89 HSP90AA1 (0.80) HSP90AA1HPRT1TSHRMAPTKMT2A
SCHEMBL11694409 0.87 HSP90AA1 (0.76) HSP90AA1HPRT1ACHEMAPTKMT2A
SCHEMBL11694416 0.87 HSP90AA1 (0.76) HSP90AA1HPRT1ACHEMAPTKMT2A
SCHEMBL16601703 0.86 HSP90AA1 (0.76) HSP90AA1HPRT1TSHRMAPTKMT2A
SCHEMBL11781806 0.86 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTKMT2AKDM4E
SCHEMBL11781812 0.86 HSP90AA1 (0.76) HSP90AA1HPRT1MAPTKMT2AKDM4E
SCHEMBL11781023 0.84 HSP90AA1 (0.72) HSP90AA1HPRT1TSHRMAPTKMT2A
SCHEMBL11781032 0.84 HSP90AA1 (0.72) HSP90AA1HPRT1TSHRMAPTKMT2A

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
US-8465889-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-06-18 US disclosed
US-8435706-B2 2013-05-07 US disclosed