SCHEMBL17807014

SCHEMBL17807014

Brc1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
SIGMAR1 Q99720 7/20 0.40
CYP1A1 P04798 3/20 0.37
CYP1B1 Q16678 3/20 0.37
CYP1A2 P05177 2/20 0.37
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
MAOB P27338 1/20 0.34
KMT2A Q03164 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.33
NR1I3 Q14994 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
SCHEMBL12156929 0.97 ALDH1A1 (0.42) ALDH1A1MAPK1SIGMAR1CYP1A1CYP1B1
SCHEMBL30636158 0.95 SIGMAR1 (0.43) ALDH1A1SIGMAR1CYP1A2KMT2A
SCHEMBL5956974 0.95 SIGMAR1 (0.43) ALDH1A1SIGMAR1CYP1A2KMT2A
SCHEMBL1963348 0.93 ALDH1A1 (0.44) ALDH1A1MAPK1SIGMAR1CYP1A1CYP1B1
SCHEMBL31160281 0.93 ALDH1A1 (0.44) ALDH1A1MAPK1SIGMAR1CYP1A1CYP1B1
SCHEMBL12476027 0.93 ALDH1A1 (0.48) ALDH1A1MAPK1SIGMAR1CYP1A1CYP1B1
SCHEMBL16282332 0.93 ALDH1A1 (0.48) ALDH1A1MAPK1SIGMAR1CYP1A1CYP1B1
SCHEMBL1959984 0.93 ALDH1A1 (0.44) ALDH1A1MAPK1SIGMAR1CYP1A1CYP1B1
SCHEMBL18921875 0.93 ALDH1A1 (0.44) ALDH1A1MAPK1SIGMAR1CYP1A1CYP1B1
SCHEMBL17740598 0.92 ALDH1A1 (0.42) ALDH1A1MAPK1SIGMAR1CYP1A1CYP1B1

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
US-11271175-B2 Organic electronic element comprising compound for organic electronic element, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-03-08 US disclosed
US-20200235314-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-23 US disclosed
US-20160163994-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163994-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-06-09 US disclosed