SCHEMBL21319977

SCHEMBL21319977

Cc1cccc2c1c1ccccc1n2-c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC4 P56524 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
AVPR1A P37288 1/20 0.37
KHK P50053 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MAPT P10636 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL21320126 0.93 L3MBTL1 (0.47) KDM4EATML3MBTL1RXRARXRB
SCHEMBL19010475 0.93 AVPR1A (0.43) KDM4EATML3MBTL1RXRARXRB
SCHEMBL14565915 0.90 KDM4E (0.46) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL17931559 0.89 KDM4E (0.48) KDM4EATML3MBTL1HDAC4AVPR1A
SCHEMBL17636103 0.89 KDM4E (0.47) KDM4EATML3MBTL1HDAC4AVPR1A
SCHEMBL22725230 0.87 KDM4E (0.44) KDM4EATML3MBTL1HDAC4AVPR1A
SCHEMBL19769498 0.87 L3MBTL1 (0.56) KDM4EATML3MBTL1HDAC4RXRA
SCHEMBL19011150 0.86 KDM4E (0.51) KDM4EATML3MBTL1HDAC4ALDH1A1
SCHEMBL23606166 0.86 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19863529 0.86 L3MBTL1 (0.55) KDM4EATML3MBTL1HDAC4RXRA

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-3015465-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-09-04 EP disclosed