SCHEMBL21101644

SCHEMBL21101644

Clc1cccc2c(I)ccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.61
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
LMNA P02545 4/20 0.50
HSP90AA1 P07900 4/20 0.50
TP53 P04637 3/20 0.50
ALOX15 P16050 3/20 0.50
SLC6A2 P23975 3/20 0.50
MAPT P10636 3/20 0.50
MMP14 P50281 3/20 0.50
USP2 O75604 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP3A4 P08684 2/20 0.50

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
SCHEMBL9486107 0.81 KDM4E (0.50) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL318769 0.81 NR4A2 (0.68) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL29410781 0.81 NR4A2 (0.68) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL27876058 0.78 KDM4E (0.47) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL3271557 0.76 PSMD14 (0.61) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1195473 0.76 KDM4E (0.46) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1245479 0.76 KDM4E (0.54) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL10009591 0.76 NR4A2 (1.00) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL1025455 0.76 NR4A2 (0.61) NR4A2KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL18848335 0.76 HTR1A (0.56) KDM4EALDH1A1SMN1; SMN2HTTMEN1

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-2804859-B1 NOVEL FAP INHIBITORS UNIV ANTWERPEN (BE) 2019-06-12 EP disclosed