SCHEMBL7545968

SCHEMBL7545968

FC(F)(F)c1ccccc1CCI.[Zn]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
DAO P14920 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAOB P27338 2/20 0.41
CNR1 P21554 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLQ O75417 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL7330366 0.98 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM
SCHEMBL17329111 0.84 IDO1 (0.59) IDO1DAOALDH1A1KDM4EATM
SCHEMBL21312960 0.84 HDAC1 (0.50) IDO1DAOALDH1A1KDM4EATM
SCHEMBL1043985 0.81 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM
SCHEMBL23337251 0.80 IDO1 (0.55) IDO1DAOALDH1A1KDM4EATM
SCHEMBL25089767 0.79 P2RX7 (0.42) IDO1
SCHEMBL30201209 0.79 P2RX7 (0.42) IDO1
SCHEMBL2089439 0.78 IDO1 (0.53) IDO1DAOALDH1A1KDM4EATM
SCHEMBL1043968 0.78 HDAC1 (0.51) IDO1DAOALDH1A1KDM4EATM
SCHEMBL5609142 0.77 IDO1 (0.52) IDO1DAOALDH1A1KDM4EATM

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-6482990-B1 Prostaglandin E analogues TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-11-19 US disclosed
EP-1211241-A1 PROSTAGLANDIN E ANALOGUES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-06-05 EP disclosed