SCHEMBL27798554

SCHEMBL27798554

COC(=O)c1cc(NCc2ccco2)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
APP P05067 1/20 0.47
EGFR P00533 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 4/20 0.45
RECQL P46063 1/20 0.45
AQP1 P29972 1/20 0.44
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
FYN P06241 1/20 0.42

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
SCHEMBL3716917 0.80 PIK3CA (0.52) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL7256671 0.78 KMT2A (0.52) KMT2AEGFRLMNAKDM4EALDH1A1
SCHEMBL118131 0.76 SMN1; SMN2 (0.49) KMT2AAPPEGFRLMNAKDM4E
SCHEMBL3662262 0.75 KDM4E (0.46) KMT2AAPPEGFRKDM4EALDH1A1
SCHEMBL1653865 0.74 SMN1; SMN2 (0.47) KMT2AAPPEGFRLMNAKDM4E
SCHEMBL13087302 0.74 EGFR (0.72) KMT2AEGFRLMNAKDM4EALDH1A1
SCHEMBL22119481 0.74 HIF1A (0.41) KMT2AALDH1A1SMN1; SMN2
SCHEMBL19072400 0.74 KMT2A (0.45) KMT2ALMNAKDM4EALDH1A1
SCHEMBL16505504 0.73 NQO2 (0.47) LMNAKDM4EALDH1A1GAAMAPT
SCHEMBL9316001 0.73 LMNA (0.47) KMT2AEGFRLMNAKDM4EALDH1A1

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
CN-101938905-A Chemical compounds SYNGENTA LTD 2011-01-05 CN disclosed