SCHEMBL5814731

SCHEMBL5814731

C=C(C[C@@H](N[S+]([O-])C(C)(C)C)C(=O)OCC)c1ccc(-n2cccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
AOC2 O75106 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 3/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP26A1 O43174 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 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
SCHEMBL5798241 1.00 ALDH1A1 (0.40) ALDH1A1AOC2MEN1KMT2APOLB
SCHEMBL5798028 0.87 KMT2A (0.43) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL5797834 0.87 KMT2A (0.37) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL5799304 0.87 KMT2A (0.43) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL5820016 0.87 KMT2A (0.37) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL5800376 0.86 CYP26A1 (0.40) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL5801142 0.86 CYP26A1 (0.40) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL5797762 0.83 EPHX2 (0.41) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL5801633 0.83 EPHX2 (0.41) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL5801461 0.80 MAPT (0.37) ALDH1A1KMT2AMAPTLMNASMN1; SMN2

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-2006030208-A1 AMINO ACID UNIVERSITY OF LEEDS (GB) 2006-03-23 WO disclosed