SCHEMBL25469700

SCHEMBL25469700

c1ccc2c(c1)-c1nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc3nc(-c4cccc5c4ccc4ccccc45)nc-2c13

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 4/20 0.38
▸ ALDH1A1 P00352 6/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CYP1B1 Q16678 2/20 0.33
▸ THRB P10828 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
SCHEMBL25469698 0.90 ALDH1A1 (0.38) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL25469409 0.90 CNR1 (0.35) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL25469696 0.89 MAOB (0.40) ALDH1A1HSD17B10CYP1A2MAPTCYP2C9
SCHEMBL25469761 0.85 MAOB (0.37) ALDH1A1HSD17B10CYP1A2MAPTCYP1B1
SCHEMBL25469492 0.85 MEN1 (0.40) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL25472306 0.84 CNR1 (0.35) ALDH1A1HSD17B10HPGDMAPTKDM4E
SCHEMBL25469612 0.83 ALOX5 (0.33) ALDH1A1HSD17B10HPGDL3MBTL1AHR
SCHEMBL25472736 0.82 MEN1 (0.40) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL17426590 0.81 KDM4E (0.42) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL25469489 0.79 ALDH1A1 (0.46) HPRT1ALDH1A1HSD17B10CYP1A2HPGD

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
WO-2023082808-A1 TETRAAZA-FLUORANTHENE COMPOUND AND APPLICATION THEREOF 上海八亿时空先进材料有限公司 2023-05-19 — — WO disclosed
Send feedback