SCHEMBL22240621

SCHEMBL22240621

C=N/C(=N\Cc1ccc2c(c1)Cc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1-2)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 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
SCHEMBL26518448 0.92 MMP12 (0.32) KDM4EATML3MBTL1PTGER4MMP12
SCHEMBL21668694 0.83 AKR1C4 (0.32) MMP12MMP13
SCHEMBL26519371 0.82 RXRA (0.32) —
SCHEMBL26518210 0.81 KDM4E (0.30) KDM4EATML3MBTL1
SCHEMBL26516910 0.81 — —
SCHEMBL21668832 0.79 MMP12 (0.31) MMP12MMP13
SCHEMBL21669157 0.79 SRD5A2 (0.36) KDM4EATML3MBTL1
SCHEMBL12219214 0.79 L3MBTL1 (0.53) KDM4EATML3MBTL1PTGER4
SCHEMBL20709658 0.79 L3MBTL1 (0.53) KDM4EATML3MBTL1PTGER4
SCHEMBL14767464 0.78 KDM4E (0.49) KDM4EATML3MBTL1PTGER4MMP12

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
EP-3683217-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LT Materials Co., Ltd. (KR) 2020-07-22 — — EP disclosed
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