SCHEMBL28577674

SCHEMBL28577674

Nc1cc(Oc2cc(N)c(C(F)(F)F)c(N)c2)cc(N)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.42
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8146207 0.82 AR (0.44) NR4A1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL8152033 0.79 L3MBTL1 (0.34) NR4A1MAPTALDH1A1L3MBTL1RAB9A
SCHEMBL8150901 0.79 L3MBTL1 (0.33) NR4A1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL8143934 0.79 L3MBTL1 (0.33) NR4A1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL8147195 0.78 MAPT (0.43) NR4A1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL8152179 0.76 L3MBTL1 (0.35) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL28003986 0.76 MAPT (0.47) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL8147716 0.75 L3MBTL1 (0.40) NR4A1MAPTALDH1A1L3MBTL1KDM4E
SCHEMBL8139029 0.75 NR4A1 (0.40) NR4A1MAPTL3MBTL1RAB9ALMNA
SCHEMBL29962951 0.74 PTPN5 (0.48) MAPTALDH1A1L3MBTL1KDM4EMEN1

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
CN-112824435-A High-regularity thermoplastic polyurethane material and preparation method thereof 北京化工大学 2021-05-21 CN claimed
CN-113831493-B Self-repairing polyurethane elastomer containing six-fold intermolecular hydrogen bonds and preparation method thereof 中国科学院宁波材料技术与工程研究所 2023-07-18 CN disclosed
CN-112824435-A High-regularity thermoplastic polyurethane material and preparation method thereof 北京化工大学 2021-05-21 CN disclosed