SCHEMBL21295584

SCHEMBL21295584

[c]1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
TYMP P19971 1/20 0.38
KDM4E B2RXH2 3/20 0.35
PTPN1 P18031 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 1/20 0.35
GSK3B P49841 1/20 0.35
ADK P55263 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2A6 P11509 1/20 0.34
DNMT1 P26358 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GALR1 P47211 1/20 0.34
HPGD P15428 2/20 0.33
CYP1A2 P05177 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
SCHEMBL2271084 0.82 ALDH1A1 (0.39) KDM4EPTPN1ALPLGAAALDH1A1
SCHEMBL2268337 0.82 CYP1A2 (0.41) DHFRKDM4EPTPN1ALPLGAA
SCHEMBL702934 0.82 ALDH1A1 (0.50) DHFRTYMPKDM4EPTPN1ALPL
SCHEMBL29407412 0.82 ALDH1A1 (0.50) DHFRTYMPKDM4EPTPN1ALPL
SCHEMBL23803186 0.81 DHFR (0.39) DHFRTYMPKDM4EPTPN1ALPL
SCHEMBL18221914 0.79 ALDH1A1 (0.42) KDM4EALDH1A1TSHRHSD17B10DNMT1
SCHEMBL28981543 0.77 ALDH1A1 (0.38) KDM4EPTPN1ALPLGAAALDH1A1
SCHEMBL7212884 0.76 TYMP (0.50) DHFRTYMPKDM4EPTPN1ALPL
SCHEMBL22419027 0.76 DHFR (0.46) DHFRTYMPKDM4EPTPN1ALPL
SCHEMBL6274844 0.76 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10HPGDCYP1A2

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
US-20200388767-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-10 US disclosed
CN-111712938-A Organic electroluminescent element and electronic device 出光兴产株式会社 2020-09-25 CN disclosed
WO-2019163824-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2019-08-29 WO disclosed