SCHEMBL6946033

SCHEMBL6946033

Nc1ccc(N)c(C(O)CO)c1.Nc1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
RECQL P46063 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP3A4 P08684 5/20 0.34
ALDH1A1 P00352 5/20 0.34
CASP1 P29466 3/20 0.34
TSHR P16473 3/20 0.34
ALOX15 P16050 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
CA3 P07451 1/20 0.32

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
SCHEMBL29358097 0.98 THRB (0.36) THRBTDP1RECQLMEN1MAPT
SCHEMBL111094 0.98 THRB (0.36) THRBTDP1RECQLMEN1MAPT
Hydrochloric Acid SCHEMBL19549198 0.96 MAPT (0.39) THRBTDP1RECQLMEN1MAPT
Sulfuric Acid SCHEMBL6947452 0.89 ALDH1A1 (0.50) THRBTDP1RECQLMEN1MAPT
SCHEMBL5181377 0.83 PYGL (0.39) THRBTDP1RECQLMEN1MAPT
SCHEMBL30120579 0.82 PDE2A (0.39) THRBTDP1RECQLMEN1MAPT
SCHEMBL19972208 0.82 THRB (0.34) THRBTDP1RECQLMEN1MAPT
SCHEMBL109440 0.82 CYP3A4 (0.43) THRBTDP1RECQLMEN1MAPT
Hydrochloric Acid SCHEMBL27813642 0.82 PYGL (0.38) THRBTDP1RECQLMEN1MAPT
Hydrochloric Acid SCHEMBL27940325 0.82 PYGL (0.38) THRBTDP1RECQLMEN1MAPT

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
EP-0999203-B1 Novel developer in oxidative hair dyeing CLAIROL INC (US) 2003-02-26 EP disclosed
EP-0999203-A1 Novel developer in oxidative hair dyeing Bristol-Myers Squibb Company (US) 2000-05-10 EP disclosed