SCHEMBL13635740

SCHEMBL13635740

COc1cc(N)c(C(=N)c2cccc(F)c2)cc1NC(=O)Cc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.57
KMT2A Q03164 10/20 0.57
POLB P06746 5/20 0.57
ALDH1A1 P00352 5/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
CTDSP1 Q9GZU7 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPT P10636 2/20 0.57
RECQL P46063 2/20 0.57
BLM P54132 2/20 0.57
KDM4E B2RXH2 1/20 0.57
THRB P10828 1/20 0.57
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
DNMT1 P26358 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.45
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL14539065 0.74 POLB (0.62) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL2855841 0.71 TTK (0.52) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL936411 0.70 MEN1 (0.69) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL21468498 0.69 MEN1 (0.65) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL2381404 0.65 CDK9 (0.52) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL12237452 0.65 DNMT1 (0.60) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL21499355 0.64 MEN1 (0.58) MEN1KMT2APOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2422080 0.64 POLB (0.57) MEN1KMT2APOLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2331120 0.64 DNMT1 (0.59) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL10817377 0.63 MEN1 (0.66) MEN1KMT2APOLBALDH1A1L3MBTL1

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-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed