SCHEMBL14624232

SCHEMBL14624232

CC(C)Oc1ccc(NC(=O)c2ccc(-c3cc(C(C)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
TP53 P04637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
RXRA P19793 2/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
XDH P47989 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 2/20 0.42
BCL2 P10415 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL3471828 0.94 MAPT (0.55) MAPTSMN1; SMN2POLBTP53ALDH1A1
SCHEMBL14624812 0.89 TRPV1 (0.53) MAPTSMN1; SMN2POLBTP53RXRA
SCHEMBL14624121 0.89 MAPT (0.47) MAPTSMN1; SMN2POLBTP53ALDH1A1
SCHEMBL3473522 0.87 MAPT (0.53) MAPTSMN1; SMN2POLBTP53LMNA
SCHEMBL3471008 0.85 MAPT (0.64) MAPTSMN1; SMN2POLBTP53RXRA
SCHEMBL14623709 0.84 MAPT (0.56) MAPTSMN1; SMN2POLBTP53LMNA
SCHEMBL3471277 0.84 MAPT (0.57) MAPTSMN1; SMN2POLBTP53RXRA
SCHEMBL3472395 0.83 MAPT (0.54) MAPTSMN1; SMN2POLBTP53RXRA
SCHEMBL3471242 0.83 MAPT (0.59) MAPTSMN1; SMN2POLBTP53RXRA
SCHEMBL14624076 0.83 MAPT (0.55) MAPTSMN1; SMN2POLBTP53ALDH1A1

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-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed