SCHEMBL7916031

SCHEMBL7916031

Nc1cccc2cccc(O)c12.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALOX15 P16050 3/20 0.50
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 1/20 0.48
DNMT1 P26358 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
JAK2 O60674 1/20 0.44
RPS6KA3 P51812 1/20 0.44
MELK Q14680 1/20 0.44
STK24 Q9Y6E0 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
PLAU P00749 2/20 0.42
NCF1 P14598 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HPGD P15428 4/20 0.41

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
SCHEMBL30845313 0.98 TSHR (0.52) TSHRALOX15ALDH1A1MEN1DNMT1
SCHEMBL444774 0.98 TSHR (0.52) TSHRALOX15ALDH1A1MEN1DNMT1
SCHEMBL29365168 0.98 TSHR (0.52) TSHRALOX15ALDH1A1MEN1DNMT1
SCHEMBL7916033 0.95 TSHR (0.50) TSHRALOX15ALDH1A1MEN1DNMT1
Lithium SCHEMBL29431813 0.95 TSHR (0.50) TSHRALOX15ALDH1A1MEN1DNMT1
Hydrochloric Acid SCHEMBL31157040 0.95 TSHR (0.50) TSHRALOX15ALDH1A1MEN1DNMT1
SCHEMBL31511770 0.95 TSHR (0.50) TSHRALOX15ALDH1A1MEN1DNMT1
Resorcinol SCHEMBL8015752 0.87 ALDH1A1 (0.48) TSHRALOX15ALDH1A1MEN1DNMT1
Catechol SCHEMBL8517030 0.86 ALOX15 (0.56) TSHRALOX15ALDH1A1MEN1DNMT1
1-Naphthol SCHEMBL7768867 0.86 CYP1A2 (0.65) TSHRALOX15ALDH1A1MEN1DNMT1

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-6217855-B1 ELASTICITY KAO CORPORATION (JP) 2001-04-17 US disclosed