SCHEMBL14177255

SCHEMBL14177255

Cc1ccc(O)c(NC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ HTT P42858 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ STAT3 P40763 1/20 0.45
▸ TGFBR1 P36897 1/20 0.42
▸ TP53 P04637 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL2259440 0.93 TGFBR1 (0.44) MAPTPOLBTGFBR1KDM4EHPGD
SCHEMBL15707237 0.92 ALDH1A1 (0.43) MAPTPOLBTGFBR1TP53HPGD
SCHEMBL2257831 0.91 TGFBR1 (0.42) MAPTMAPK1TGFBR1KDM4EHPGD
SCHEMBL2262678 0.91 RAB9A (0.46) MAPTPOLBTGFBR1TP53KDM4E
SCHEMBL2255675 0.91 STAT3 (0.56) GAAMAPTHTTPOLBMAPK1
SCHEMBL14177233 0.90 KMT2A (0.47) GAAMAPTPOLBSTAT3TGFBR1
SCHEMBL2254861 0.90 TRPM4 (0.46) MAPTTGFBR1KDM4EHPGDP2RY1
SCHEMBL2259796 0.90 TP53 (0.47) MAPTPOLBTP53KDM4EHPGD
SCHEMBL2259083 0.89 RXRA (0.44) POLBSTAT3TGFBR1KDM4EHPGD
SCHEMBL2257923 0.89 HPGD (0.47) GAAMAPTPOLBTGFBR1TP53

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
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 — — WO disclosed
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