SCHEMBL20004157

SCHEMBL20004157

COc1ccc2c(c1N)C(C)(C)C(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
S100A4 P26447 1/20 0.40
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 2/20 0.34
THRB P10828 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
NPC1 O15118 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FGB P02675 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL897309 0.83 HTR5A (0.43) MEN1KMT2AUSP2S100A4MAPT
SCHEMBL7809349 0.81 MEN1 (0.38) MEN1KMT2AUSP2S100A4MAPT
SCHEMBL20366561 0.80 MEN1 (0.38) MEN1KMT2AUSP2S100A4MAPT
SCHEMBL17448466 0.80 MEN1 (0.38) MEN1KMT2AUSP2S100A4MAPT
SCHEMBL897425 0.79 TDP1 (0.41) MEN1KMT2AUSP2S100A4MAPT
SCHEMBL20061137 0.73 S100B (0.38) KMT2AMAPTLMNAALDH1A1GAA
SCHEMBL20061173 0.73 S100B (0.38) KMT2AMAPTLMNAALDH1A1GAA
SCHEMBL10158550 0.71 KDM4E (0.53) MEN1KMT2AUSP2S100A4MAPT
SCHEMBL20445639 0.70 KDM4E (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL20004206 0.68 ALK (0.38) MEN1KMT2AALDH1A1GAAMAPK1

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-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed