SCHEMBL27624901

SCHEMBL27624901

COCO[C](F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.38
AKT1 P31749 1/20 0.38
CA2 P00918 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7675831 0.78 KMT2A (0.47) TSHRLMNAKMT2APOLBHPGD
SCHEMBL7682290 0.75 LMNA (0.60) TSHRLMNAHTTKMT2ATDP1
SCHEMBL27606820 0.75 ALDH1A1 (0.41) TSHRLMNAMAPK1HTTL3MBTL1
SCHEMBL514540 0.75 LMNA (0.60) TSHRLMNAMAPK1L3MBTL1KMT2A
SCHEMBL3578945 0.75 TSHR (0.52) TSHRLMNAMAPK1HTTKMT2A
Benzil SCHEMBL27395782 0.70 CES2 (0.64) TSHRL3MBTL1AKT1HPGDCES2
SCHEMBL31088171 0.69 MAPT (0.51) TSHRLMNAMAPK1HTTL3MBTL1
P-Xylene SCHEMBL28048503 0.69 NPC1 (0.63) TSHRLMNAMAPK1KMT2ATDP1
SCHEMBL14287513 0.69 LMNA (0.53) TSHRLMNAMAPK1L3MBTL1KMT2A
SCHEMBL11358478 0.69 LMNA (0.53) TSHRLMNAMAPK1L3MBTL1KMT2A

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-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed