SCHEMBL7532114

SCHEMBL7532114

Nc1cccc(C(F)(F)F)c1Sc1c(N)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.38
POLB P06746 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 3/20 0.34
GAA P10253 3/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
IDO1 P14902 2/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
CUL4A Q13619 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PNMT P11086 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 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
SCHEMBL3379939 0.83 NOS3 (0.36) MPLPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL11449930 0.79 NOS3 (0.43) MPLPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL28918923 0.76 HSD11B1 (0.37) MPLPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL476347 0.75 CD44 (0.42) MPLPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL29589903 0.75 CD44 (0.42) MPLPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL19042438 0.75 POLB (0.40) MPLPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL28918930 0.74 P2RX7 (0.39) POLBTDP1ALDH1A1L3MBTL1GAA
SCHEMBL28918938 0.74 HSD11B1 (0.38) MPLPOLBTDP1ALDH1A1L3MBTL1
SCHEMBL70554 0.74 ALDH1A1 (0.48) POLBTDP1ALDH1A1L3MBTL1TSHR
SCHEMBL1814828 0.74 ALDH1A1 (0.38) POLBTDP1ALDH1A1L3MBTL1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002026866-A2 METHOD OF MAKING A POLYIMIDE IN A LOW-BOILING SOLVENT SUMITOMO BAKELITE COMPANY LIMITED (JP) 2002-04-04 WO disclosed
EP-0896588-A1 CATALYST SYSTEM CONTAINING REACTION PRODUCT OF LIQUID SILICONE AND POLYAMINE Lyondell Petrochemical Company (US) 1999-02-17 EP disclosed
WO-1997041157-A1 CATALYST SYSTEM CONTAINING REACTION PRODUCT OF LIQUID SILICONE AND POLYAMINE LYONDELL PETROCHEMICAL COMPANY (US) 1997-11-06 WO disclosed