SCHEMBL17943442

SCHEMBL17943442

c1ccc2c(-c3ccc(-c4cc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)nc(-c5cccc6ccccc56)n4)cc3)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.43
▸ ENPP3 O14638 1/20 0.43
▸ FLT3 P36888 3/20 0.42
▸ BMX P51813 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40
▸ TUBA1C Q9BQE3 1/20 0.40
▸ TUBB6 Q9BUF5 1/20 0.40
▸ TUBB2B Q9BVA1 1/20 0.40

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
SCHEMBL14416370 0.95 KDM4E (0.41) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL13100587 0.95 TUBB4A (0.43) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL13100590 0.95 TUBB4A (0.43) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL19397653 0.95 KDM4E (0.44) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL24812017 0.93 KDM4E (0.45) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL26431960 0.93 TUBB4A (0.40) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL17899176 0.92 ALDH1A1 (0.42) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL13100569 0.91 PIM1 (0.46) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL17853571 0.91 MAPT (0.43) ENPP1ENPP3FLT3BMXKDM4E
SCHEMBL15887960 0.91 FLT3 (0.41) ENPP1ENPP3FLT3BMXKDM4E

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-20160218288-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2016-07-28 — — US disclosed
US-20160218288-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2016-07-28 — — US disclosed
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