SCHEMBL17014125

SCHEMBL17014125

Brc1c2ccccc2c(-c2cccc3c2ccc2ccccc23)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.54
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 3/20 0.47
HPGD P15428 3/20 0.47
HIF1A Q16665 3/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CYP2A6 P11509 1/20 0.46
SOS1 Q07889 1/20 0.44

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
SCHEMBL29351773 0.90 DHFR (0.43) ALDH1A1CYP1A2HPGDMEN1CYP2C9
SCHEMBL1680196 0.90 DHFR (0.43) ALDH1A1CYP1A2HPGDMEN1CYP2C9
SCHEMBL31122684 0.90 HPRT1 (0.67) HPRT1ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL9959365 0.88 DHFR (0.42) ALDH1A1CYP1A2HPGDMEN1CYP2C9
SCHEMBL25978038 0.88 HPRT1 (0.64) HPRT1ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL10052546 0.86 ALDH1A1 (0.44) HPRT1ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL2860111 0.85 SOS1 (0.45) HPRT1ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL28517525 0.82 DNMT1 (0.40) ALDH1A1CYP1A2HPGDHIF1AMAPK1
SCHEMBL13249094 0.82 SOS1 (0.47) HPRT1ALDH1A1CYP1A2HPGDHIF1A
SCHEMBL13249096 0.82 SOS1 (0.47) HPRT1ALDH1A1CYP1A2HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150236264-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 US disclosed
US-20150236264-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 US disclosed