SCHEMBL31670

SCHEMBL31670

c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ ATM Q13315 1/20 0.49
▸ KMT2A Q03164 2/20 0.38
▸ IL1R1 P14778 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPK8 P45983 2/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ AVPR1A P37288 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
SCHEMBL22352551 0.95 L3MBTL1 (0.44) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL19342643 0.94 KDM4E (0.55) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL10205988 0.94 KDM4E (0.55) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL10315682 0.93 L3MBTL1 (0.42) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL10315679 0.93 L3MBTL1 (0.42) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL22352404 0.93 KDM4E (0.45) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL21699498 0.92 L3MBTL1 (0.48) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL19884882 0.92 L3MBTL1 (0.48) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL13562925 0.92 L3MBTL1 (0.52) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL10206021 0.92 KDM4E (0.57) L3MBTL1KDM4EATMKMT2AIL1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 — — WO disclosed
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