SCHEMBL10587359

SCHEMBL10587359

CC(=O)c1ccc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 5/20 0.57
POLB P06746 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
KDM4E B2RXH2 6/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 3/20 0.54
TSHR P16473 2/20 0.54
TYMS P04818 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.47
RECQL P46063 2/20 0.47
CASP6 P55212 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PABPC1 P11940 2/20 0.47

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
SCHEMBL6841902 0.87 S100A4 (0.57) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL7841346 0.84 TYMS (0.73) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL21849886 0.81 TYMS (0.50) ALDH1A1MAPTPOLBMEN1KMT2A
Fluoranthene SCHEMBL29061747 0.80 ALDH1A1 (0.52) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL38471077 0.79 KDM4E (0.55) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL10391045 0.79 KDM4E (0.55) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL15673097 0.78 KDM4E (0.49) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL24490465 0.77 ALDH1A1 (0.43) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL16581141 0.77 TYMS (0.46) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL7119411 0.74 KDM4E (0.55) ALDH1A1MAPTPOLBMEN1KMT2A

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
EP-0329322-A2 Sensing of vapours The BOC Group plc (GB) 1989-08-23 EP disclosed