SCHEMBL17990643

SCHEMBL17990643

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5ccc6oc7ccccc7c6c5ccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TSHR P16473 4/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 6/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
TERT O14746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL15625546 0.92 ALDH1A1 (0.36) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL17691785 0.90 ALDH1A1 (0.35) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL19997872 0.90 ALDH1A1 (0.35) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL16437587 0.89 ALDH1A1 (0.35) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL18926323 0.89 TSHR (0.39) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL17990691 0.88 KDM4E (0.35) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL15074077 0.88 L3MBTL1 (0.39) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL17990637 0.88 MAPT (0.35) ALDH1A1TSHRHPGDMAPTNPC1
SCHEMBL16437588 0.87 ALDH1A1 (0.32) ALDH1A1TSHRHPGDMAPTLMNA
SCHEMBL22893932 0.87 ABCG2 (0.38) ALDH1A1TSHRHPGDMAPTNPC1

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed