SCHEMBL6564572

SCHEMBL6564572

Oc1cc(Cl)cnc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.45
KDM4E B2RXH2 2/20 0.43
S100A9 P06702 2/20 0.42
EGFR P00533 2/20 0.41
CXCR2 P25025 2/20 0.41
DHODH Q02127 2/20 0.41
PIN1 Q13526 1/20 0.40
ALK Q9UM73 1/20 0.40
JAK2 O60674 2/20 0.40
LRRK2 Q5S007 1/20 0.40
IGF1R P08069 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
NTRK1 P04629 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL18338088 0.82 KMT2A (0.54) BCL6EGFRJAK2LRRK2MAP4K4
SCHEMBL13730481 0.79 BCL6 (0.53) BCL6KDM4EEGFRPIN1JAK2
SCHEMBL18434110 0.79 SYK (0.50) BCL6EGFRDHODHJAK2LRRK2
SCHEMBL15635744 0.79 DHODH (0.64) KDM4EDHODHCYP3A4
SCHEMBL16684787 0.72 PIN1 (0.57) BCL6KDM4ES100A9EGFRPIN1
SCHEMBL21377511 0.72 S100A9 (0.47) KDM4ES100A9
SCHEMBL11971210 0.71 DHODH (0.61) KDM4EDHODH
SCHEMBL6525797 0.70 ABCG2 (0.50) BCL6KDM4ECYP3A4
SCHEMBL7687919 0.70 AURKA (0.49) EGFRALKAURKAPRKD3MAP4K4
SCHEMBL18434184 0.70 MAPT (0.55) BCL6KDM4EJAK2LRRK2IGF1R

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-1304994-B1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-10-20 EP disclosed