SCHEMBL21667194

SCHEMBL21667194

C=C(/C=C\C)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.54
▸ POLB P06746 2/20 0.46
▸ CNR1 P21554 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ NQO2 P16083 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL27335845 0.84 ALDH1A1 (0.50) KDM4EMEN1KMT2A
SCHEMBL21531853 0.84 MGLL (0.51) MGLLPOLBCNR1KDM4EADORA3
SCHEMBL14016448 0.84 TGM2 (0.45) POLBKDM4EMEN1KMT2A
SCHEMBL23228136 0.81 MGLL (0.59) MGLLPOLBCNR1KDM4EADORA3
SCHEMBL18473288 0.79 MGLL (0.61) MGLLPOLBCNR1KDM4EADORA3
SCHEMBL24318333 0.77 MAPT (0.52) POLBMEN1KMT2A
SCHEMBL21615031 0.75 ALDH1A1 (0.54) POLBKDM4EMEN1KMT2A
SCHEMBL24303930 0.74 MAPT (0.49) KDM4EADORA3MEN1KMT2A
SCHEMBL21650555 0.73 MMP1 (0.50) MGLLPOLBMEN1KMT2A
SCHEMBL21120843 0.73 MGLL (0.48) MGLLPOLBCNR1KDM4EADORA3

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
EP-4190779-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-06-07 — — EP disclosed
EP-3604296-B1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT LT MATERIALS CO LTD (KR) 2021-07-28 — — EP disclosed
EP-3812381-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT Materials Co., Ltd. (KR) 2021-04-28 — — EP disclosed
EP-3604296-A1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT Heesung Material Ltd. (KR) 2020-02-05 — — EP disclosed
Send feedback