SCHEMBL11273016

SCHEMBL11273016

CC(C)C(C(=O)OC(C#N)c1cc(Oc2ccccc2)nc2ccccc12)C(C)C=C(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLA2G10 O15496 3/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32
EGLN2 Q96KS0 9/20 0.32
EGLN1 Q9GZT9 6/20 0.32
LRRK2 Q5S007 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11272139 0.92 ALDH1A1 (0.36) ALDH1A1TDP1KDM4EHPGDHSD17B10
SCHEMBL11276790 0.85 ALDH1A1 (0.38) ALDH1A1TDP1KDM4EHPGDHSD17B10
SCHEMBL11275322 0.84 ALDH1A1 (0.36) ALDH1A1TDP1KDM4EHPGDLMNA
SCHEMBL11277961 0.81 ALDH1A1 (0.38) ALDH1A1TDP1L3MBTL1
SCHEMBL11269114 0.80 PLA2G10 (0.44) ALDH1A1TDP1KDM4EHPGDHSD17B10
SCHEMBL11280499 0.78 ALDH1A1 (0.31) ALDH1A1TDP1KDM4EHPGDHSD17B10
SCHEMBL11300912 0.78 TDP1 (0.58) ALDH1A1TDP1HPGDLMNAL3MBTL1
SCHEMBL11267662 0.76 PLA2G10 (0.35) ALDH1A1KDM4EHPGDHSD17B10PLA2G10
SCHEMBL11272118 0.76 TOP2A (0.32) ALDH1A1KDM4EHPGDLMNATOP2A
SCHEMBL11272042 0.75 NPC1 (0.38) ALDH1A1KDM4EHPGDHSD17B10LMNA

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed