SCHEMBL9564638

SCHEMBL9564638

NC(=O)COc1occ2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 5/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 4/20 0.40
PKM P14618 1/20 0.40
ACACA Q13085 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38
OGG1 O15527 1/20 0.38
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PARP10 Q53GL7 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10944396 0.71 HSD17B10 (0.37) KMT2AHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL1614613 0.71 KDM4E (0.72) KMT2AHSD17B10KDM4EHTTMEN1
SCHEMBL20792941 0.71 KMT2A (0.48) KMT2AHSD17B10KDM4EHTTMEN1
SCHEMBL3147406 0.71 KDM4E (0.39) KMT2AHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL6001561 0.70 ALDH1A1 (0.38) KMT2AHSD17B10KDM4EMEN1ALDH1A1
SCHEMBL15977056 0.69 HTT (0.50) KMT2AKDM4EHTTMEN1ALDH1A1
SCHEMBL7140950 0.69 EGFR (0.41) KDM4EMAPT
SCHEMBL7142680 0.69 KDM4E (0.41) KMT2AHSD17B10KDM4EHTTMEN1
SCHEMBL649403 0.68 ALDH1A1 (0.41) KMT2AHSD17B10KDM4EHTTMEN1
SCHEMBL6013736 0.68 HSD17B10 (0.33) KMT2AHSD17B10KDM4EMEN1ALDH1A1

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-0537539-A1 2-(2-Benzoxazolyl-oxy)acetamides and their use as herbicides BAYER AG (DE) 1993-04-21 EP claimed