SCHEMBL16437587

SCHEMBL16437587

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6c(ccc7oc8ccccc8c76)c5ccc43)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
TSHR P16473 5/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 9/20 0.34
LMNA P02545 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
POLB P06746 3/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.31
GAA P10253 2/20 0.31

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
SCHEMBL16437627 0.93 ALDH1A1 (0.38) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL31896 0.92 TSHR (0.40) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL11933011 0.92 TSHR (0.36) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL15625587 0.90 ALDH1A1 (0.36) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL15625585 0.89 TSHR (0.38) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL21365552 0.89 TSHR (0.38) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL16160432 0.89 TSHR (0.38) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL17109025 0.89 ALDH1A1 (0.32) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL17990643 0.89 ALDH1A1 (0.35) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL26841921 0.89 TSHR (0.40) ALDH1A1TSHRHPGDMAPTLMNA

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-9755157-B2 Organic compound and organic optoelectric device and display device CHEIL INDUSTRIES, INC. (KR) 2017-09-05 US disclosed
US-9755157-B2 Organic compound and organic optoelectric device and display device CHEIL INDUSTRIES, INC. (KR) 2017-09-05 US disclosed
US-20150034914-A1 ORGANIC COMPOUND AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE CHEIL INDUSTRIES, INC. (KR) 2015-02-05 US disclosed
US-20150034914-A1 ORGANIC COMPOUND AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE CHEIL INDUSTRIES, INC. (KR) 2015-02-05 US disclosed