SCHEMBL10416744

SCHEMBL10416744

O=C(O)c1nc2cccc(Cl)c2c(Cl)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.50
DYRK1A Q13627 8/20 0.49
CDK9 P50750 6/20 0.49
DYRK2 Q92630 4/20 0.49
DYRK1B Q9Y463 4/20 0.49
CLK1 P49759 1/20 0.49
CDK5 Q00535 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL8574385 0.86 DHODH (0.49) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL626362 0.81 DYRK1A (0.49) DHODHDYRK1ACDK9DYRK2DYRK1B
Water SCHEMBL25347465 0.79 DYRK1A (0.48) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL8571266 0.78 ALDH1A1 (0.57) DHODHDYRK1ACDK9DYRK2DYRK1B
Hydrochloric Acid SCHEMBL9597546 0.77 DHODH (0.57) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL1603402 0.75 DHODH (0.58) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL30533438 0.75 DYRK1A (0.47) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL10466519 0.73 ALDH1A1 (0.50) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL28226188 0.73 ALDH1A1 (0.59) DHODHDYRK1ACDK9DYRK2DYRK1B
SCHEMBL20695010 0.72 ALDH1A1 (0.48) DHODHDYRK1ACDK9DYRK2DYRK1B

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-4942268-A HALOGENATION AN AROMATIC COMPOUND IN THE PRESENCE OF A ZEOLITE CATALYST IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1990-07-17 US claimed