SCHEMBL6895044

SCHEMBL6895044

OCc1ccc(CNO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
IDO1 P14902 1/20 0.59
NOS1 P29475 2/20 0.47
NOS2 P35228 1/20 0.47
TSHR P16473 1/20 0.46
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX2 P34913 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
VHL P40337 1/20 0.39
ELOC Q15369 1/20 0.39
ELOB Q15370 1/20 0.39
LTA4H P09960 1/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 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
SCHEMBL41775 0.78 TSHR (0.67) NOS1TSHRPRSS1PRSS2PRSS3
SCHEMBL17065246 0.78 THRB (0.59) THRBIDO1NOS1NOS2CA1
SCHEMBL131948 0.76 IDO1 (0.56) THRBIDO1NOS1NOS2CA1
SCHEMBL15004592 0.76 KDM4E (0.54) NOS1NOS2TSHRPRSS1PRSS2
SCHEMBL6979704 0.76 IDO1 (0.56) THRBIDO1NOS1NOS2MEN1
Hydrochloric Acid SCHEMBL17065240 0.76 THRB (0.56) THRBIDO1NOS1NOS2CA1
SCHEMBL1505831 0.76 MEN1 (0.58) THRBIDO1NOS1NOS2HDAC1
SCHEMBL7754741 0.76 THRB (0.56) THRBIDO1NOS1NOS2MEN1
SCHEMBL12976226 0.76 THRB (0.56) THRBIDO1NOS1NOS2TSHR
SCHEMBL4941612 0.76 THRB (0.56) THRBIDO1NOS1NOS2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110729-A1 Primary N-hydroxylamines NIH 2004-06-10 US claimed
US-6455589-B1 AN ORALLY ADMINISTRABLE EFFECTIVE UNIT SOLID DOSAGE OF A PRIMARY N-HYDROXYLAMINE OR A SALT, FREE OF NITRONE; USEFUL FOR REDUCING OXIDATIVE DAMAGE OR DELAYING SENESCENCE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-24 US claimed
WO-2001030979-A1 PRIMARY N-HYDROXYLAMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-05-03 WO claimed
WO-2001030979-A1 PRIMARY N-HYDROXYLAMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-05-03 WO disclosed
US-5660974-A EXPOSING, DEVELOPING EASTMAN KODAK COMPANY (US) 1997-08-26 US disclosed