SCHEMBL19786333

SCHEMBL19786333

Brc1cc2ccccc2c2c1c1ccc3ccccc3c1n2-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CYP1A2 P05177 4/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPRT1 P00492 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 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
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ FDPS P14324 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
SCHEMBL17757199 0.83 L3MBTL1 (0.47) ALDH1A1HSD17B10CYP1B1HIF1AKDM4E
SCHEMBL18667696 0.81 HPRT1 (0.43) ALDH1A1HSD17B10HIF1ACYP1A2CYP2C9
SCHEMBL10061174 0.80 HPRT1 (0.48) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL18311782 0.79 CRHBP (0.35) ALDH1A1HSD17B10CYP1B1CYP1A2CYP2C9
SCHEMBL17877962 0.78 KDM4E (0.41) ALDH1A1HSD17B10CYP1A2HPRT1KDM4E
SCHEMBL19786513 0.77 KDM4E (0.47) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL19889757 0.76 TDP1 (0.39) ALDH1A1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL20175704 0.75 PTPN1 (0.34) CYP1B1RXFP1CYP1A1MAPT
SCHEMBL21109304 0.75 KDM4E (0.48) ALDH1A1HSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL12126569 0.75 L3MBTL1 (0.41) ALDH1A1HPRT1KDM4EATML3MBTL1

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-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 — — WO disclosed
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