SCHEMBL11782000

SCHEMBL11782000

O=[N+]([O-])c1ccc(Oc2ccc(C=NCc3ccc(CN=Cc4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.49
MAPT P10636 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 1/20 0.46
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALPG P10696 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL11776980 0.90 ALDH1A1 (0.49) HSPB1MAPTKMT2AALDH1A1POLB
SCHEMBL21715553 0.89 MEN1 (0.54) MAPTKMT2AALDH1A1PTGS2CA2
SCHEMBL11778536 0.86 KMT2A (0.41) HSPB1MAPTKMT2AALDH1A1POLB
SCHEMBL11778664 0.86 HSPB1 (0.53) HSPB1MAPTKMT2AALDH1A1POLB
SCHEMBL11779678 0.86 CA1 (0.51) HSPB1MAPTKMT2AALDH1A1POLB
SCHEMBL11778845 0.85 HSPB1 (0.45) HSPB1MAPTKMT2AALDH1A1POLB
SCHEMBL21715554 0.84 TDP1 (0.47) MAPTKMT2AALDH1A1POLBCA2
SCHEMBL11781463 0.84 HSPB1 (0.50) HSPB1MAPTKMT2AALDH1A1POLB
SCHEMBL11784599 0.84 HSPB1 (0.50) HSPB1MAPTKMT2AALDH1A1POLB
SCHEMBL21715597 0.83 CA2 (0.59) MAPTKMT2AALDH1A1POLBCA2

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-3940441-A BACTERICIDE STERLING DRUG INC. (US) 1976-02-24 US disclosed