SCHEMBL21295797

SCHEMBL21295797

[c]1cc2c(-c3ccccc3)cccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC9A1 P19634 2/20 0.37
METAP2 P50579 1/20 0.37
TNF P01375 1/20 0.37
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
LIMK1 P53667 2/20 0.33
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 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
SCHEMBL20895159 0.96 F9 (0.40) F9ALDH1A1HSD17B10SLC9A1METAP2
SCHEMBL18917045 0.90 F9 (0.38) F9SLC9A1MAPK1
SCHEMBL20895115 0.84 ABL1 (0.39) ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL21295808 0.84 PIK3CD (0.44) ALDH1A1HSD17B10TNFHPGDMAPK1
SCHEMBL18889257 0.84 SLC9A1 (0.41) SLC9A1MAP4K4CSF1RFGFR1LTK
SCHEMBL20895173 0.84 ALDH1A1 (0.33) ALDH1A1MAPK1CSF1RFGFR1KDR
SCHEMBL20895112 0.81 SLC9A1 (0.44) SLC9A1MAPK1LIMK1MAP4K4FGFR1
SCHEMBL20895104 0.81 MAP4K4 (0.42) F9ALDH1A1HSD17B10HPGDLIMK1
SCHEMBL20895126 0.80 ABL1 (0.44) ALDH1A1HSD17B10HPGDMAPK1TDP1
SCHEMBL21295860 0.80 CYP2A6 (0.44) ALDH1A1HSD17B10TNFHPGDCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed