SCHEMBL23176152

SCHEMBL23176152

C/C=C/C(F)(F)c1cc(-n2nc(C)cc2C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.33
TERT O14746 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
NTSR1 P30989 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
AR P10275 1/20 0.33
RECQL P46063 1/20 0.32

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
SCHEMBL15935406 0.83 AR (0.46) MAPTL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL23176129 0.79 MAPT (0.35) MAPTL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL15924577 0.70 AR (0.44) MAPTALDH1A1KDM4EHPGDAR
SCHEMBL15825596 0.70 AR (0.44) MAPTALDH1A1KDM4EHPGDAR
SCHEMBL583927 0.69 MEN1 (0.46) MAPTL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL19068634 0.69 AR (0.43) ALDH1A1NPSR1KDM4EHPGDAR
SCHEMBL15832410 0.68 AR (0.45) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL15832233 0.67 ALDH1A1 (0.43) MAPTL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL12852584 0.67 ALOX15 (0.50) MAPTL3MBTL1ALDH1A1TP53SMN1; SMN2
SCHEMBL3325578 0.66 MAPT (0.54) MAPTL3MBTL1ALDH1A1TP53SMN1; SMN2

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-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed