SCHEMBL28100362

SCHEMBL28100362

Oc1ccc(C(F)(F)F)cc1I.Oc1cccc(Cl)c1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.38
GAA P10253 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TMPRSS4 Q9NRS4 4/20 0.37
CHRNA7 P36544 1/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
P2RX1 P51575 2/20 0.36
P2RX4 Q99571 2/20 0.36
P2RX7 Q99572 2/20 0.36
SLC2A1 P11166 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE2A O00408 1/20 0.36
NTRK1 P04629 1/20 0.36
CDK19 Q9BWU1 1/20 0.36

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
SCHEMBL365939 0.82 MEN1 (0.48) TMPRSS4CHRNA7MEN1KMT2AMAPT
SCHEMBL28100494 0.78 P2RX1 (0.41) MEN1KMT2AMAPTP2RX1HTT
Iodide SCHEMBL5764079 0.78 MEN1 (0.46) TMPRSS4CHRNA7MEN1KMT2AMAPT
SCHEMBL1369040 0.76
SCHEMBL323510 0.71 KIF11 (0.48) MAPT
SCHEMBL225921 0.70 PDE2A (0.53) GAATMPRSS4CHRNA7MEN1KMT2A
SCHEMBL29430111 0.70 PDE2A (0.53) GAATMPRSS4CHRNA7MEN1KMT2A
SCHEMBL82230 0.70 NOTUM (0.47) MCL1MEN1KMT2AMAPTALDH1A1
SCHEMBL27283036 0.70 TSHR (0.43) KDRGAAMEN1KMT2AMAPT
Water SCHEMBL29058831 0.69 PDE2A (0.52) GAATMPRSS4CHRNA7MEN1KMT2A

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
CN-105980392-A Bromodomain inhibitors 艾伯维公司 2016-09-28 CN disclosed