SCHEMBL29366263

SCHEMBL29366263

Cc1ccc(Cl)cc1C(O)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
CNR1 P21554 3/20 0.38
S1PR3 Q99500 2/20 0.37
S1PR1 P21453 1/20 0.37
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CYP1A2 P05177 1/20 0.36
AGPAT2 O15120 2/20 0.35
IGF1R P08069 1/20 0.35
IDH1 O75874 1/20 0.34
UTS2R Q9UKP6 1/20 0.34

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
SCHEMBL30623480 0.87 MAPK1 (0.41) MAPK1CNR1S1PR3S1PR1KMT2A
SCHEMBL29364920 0.83 S1PR1 (0.39) MAPK1CNR1S1PR3S1PR1CYP3A4
SCHEMBL28890918 0.82 CYP3A4 (0.46) MAPK1CYP3A4KMT2AMEN1TP53
SCHEMBL16169582 0.79 ALDH1A1 (0.41) MAPK1CYP3A4KMT2AMEN1MAPT
SCHEMBL17055570 0.77 PSEN1 (0.41) MAPTAGPAT2IDH1
SCHEMBL15308430 0.76 GAA (0.38) S1PR3S1PR1CYP3A4KMT2AMEN1
SCHEMBL3231488 0.76 AKR1C3 (0.40) MAPK1S1PR3S1PR1AGPAT2IGF1R
SCHEMBL2882112 0.76 GRIK1 (0.42) MAPK1CNR1KMT2AMEN1MAPT
SCHEMBL1980176 0.76 CNR1 (0.47) MAPK1CNR1KMT2AMEN1TP53
SCHEMBL2514419 0.75 IDO1 (0.40) S1PR3CYP3A4TP53

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
CN-113979835-A Synthetic method of pazopanib trimer impurity intermediate 重庆医科大学 2022-01-28 CN disclosed
CN-113979835-A Synthetic method of pazopanib trimer impurity intermediate 重庆医科大学 2022-01-28 CN disclosed