SCHEMBL20215260

SCHEMBL20215260

COc1cccc(Cn2ccc(=O)cc2-c2cccc(C(F)(F)F)c2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
P2RX7 Q99572 3/20 0.44
LPO P22079 3/20 0.44
CMA1 P23946 1/20 0.43
CHRM5 P08912 2/20 0.41
ADRA1D P25100 1/20 0.41
AR P10275 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL20215242 0.92 MAPT (0.46) MAPTTP53LMNAP2RX7CMA1
SCHEMBL20215234 0.90 CHRM5 (0.40) MAPTTP53LMNAP2RX7CHRM5
SCHEMBL20215239 0.89 P2RX7 (0.38) MAPTTP53LMNAMEN1KMT2A
SCHEMBL20215219 0.87 P2RX7 (0.41) MAPTTP53LMNAP2RX7ALDH1A1
SCHEMBL20215231 0.86 MAPT (0.46) MAPTTP53LMNAMEN1KMT2A
SCHEMBL20215256 0.86 KDM4E (0.43) MAPTTP53LMNAMEN1KMT2A
SCHEMBL20215230 0.85 MAPK14 (0.43) MAPTMEN1KMT2AP2RX7AR
SCHEMBL20215253 0.85 MAPT (0.49) MAPTTP53LMNAKMT2AP2RX7
SCHEMBL20215274 0.84 CHRM5 (0.40) MAPTTP53LMNAMEN1KMT2A
SCHEMBL20215238 0.84 S1PR1 (0.36) MAPTTP53LMNAP2RX7KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988373-B2 Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-06-05 US disclosed
US-9988373-B2 Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-06-05 US disclosed