SCHEMBL10596990

SCHEMBL10596990

O=C(O)c1c(-c2ccc(Cl)cc2)[nH]ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
AURKA O14965 2/20 0.43
TPX2 Q9ULW0 2/20 0.43
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK14 Q16539 1/20 0.39
SERPINE1 P05121 1/20 0.38
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALAD P13716 1/20 0.37
SRD5A2 P31213 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL10754874 0.84 KDM4E (0.42) NOTUMIKBKBCHUKALDH1A1SERPINE1
SCHEMBL10600088 0.82 KMO (0.43) TSHRKDM4ENPC1MAPTRAB9A
SCHEMBL8780719 0.77 AURKA (0.50) NOTUMAURKATPX2IKBKBCHUK
SCHEMBL9616372 0.68 KMT2A (0.44) NOTUMALDH1A1CA12KDM4EMAPT
SCHEMBL15511168 0.68 AURKA (0.53) NOTUMAURKATPX2IKBKBCHUK
SCHEMBL10987584 0.65 MAPK14 (0.50) AURKATPX2IKBKBCHUKMAPK14
SCHEMBL4686922 0.65 IKBKB (0.76) NOTUMAURKATPX2IKBKBCHUK
SCHEMBL3653849 0.64 DPP4 (0.47) ALDH1A1KDM4E
SCHEMBL2041424 0.62 TSHR (0.85) ALDH1A1ALOX15TSHRKDM4ENPC1
SCHEMBL3550171 0.62 DCAF1 (0.52) NOTUMALDH1A1ALOX15MAPK14CA12

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-0127313-B1 THE PRODUCTION OF HAPLOID SEED, OF DOUBLED HAPLOIDS AND OF HOMOZYGOUS PLANT LINES THEREFROM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1989-07-19 EP claimed