SCHEMBL6507916

SCHEMBL6507916

Nc1ccc(N)c(CCO)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP4K1 Q92918 2/20 0.32
CYP3A4 P08684 3/20 0.31
TSHR P16473 2/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IMPDH2 P12268 1/20 0.31

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
SCHEMBL11866234 0.85 MAP4K1 (0.32) MAP4K1
SCHEMBL460054 0.83 TDP1 (0.38) TDP1ALDH1A1MEN1POLBMAPT
SCHEMBL20210937 0.76 TDP1 (0.33) TDP1ALDH1A1TSHRCA2
SCHEMBL4249599 0.76 TDP1 (0.33) TDP1ALDH1A1TSHRCA2
SCHEMBL10887280 0.75 CYP3A4 (0.41) TDP1ALDH1A1MEN1NPC1POLB
SCHEMBL9032233 0.75 MAP4K1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1MAP4K1
SCHEMBL28856679 0.74 CA2 (0.36) TDP1ALDH1A1MEN1POLBMAPT
SCHEMBL28750839 0.74 MEN1 (0.32) TDP1ALDH1A1MEN1NPC1POLB
SCHEMBL4640020 0.74 TAAR1 (0.48) ALDH1A1MEN1MAPTBLMKMT2A
SCHEMBL5690489 0.74 CYP3A4 (0.56) TDP1ALDH1A1MEN1NPC1POLB

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
WO-2005014591-A1 2-ACYLAMINO OR 2-SULFONYLAMINO-1, 3-THIAZOLES AS COUPLERS FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2005-02-17 WO disclosed