SCHEMBL21671476

SCHEMBL21671476

c1ccc2c(c1)c1ccccc1n2-c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 1/20 0.44
PTPN1 P18031 2/20 0.36
GPR3 P46089 1/20 0.35
HDAC4 P56524 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
MAPK8 P45983 2/20 0.33
KMT2A Q03164 1/20 0.33
IL1R1 P14778 1/20 0.33
RORC P51449 1/20 0.32
KDR P35968 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL21671471 1.00 KDM4E (0.57) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL22843252 0.95 L3MBTL1 (0.52) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL15275575 0.94 L3MBTL1 (0.67) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL15275599 0.94 L3MBTL1 (0.67) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL15275559 0.94 L3MBTL1 (0.67) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL20232366 0.93 L3MBTL1 (0.64) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL21671473 0.92 KDM4E (0.48) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL19849111 0.92 L3MBTL1 (0.53) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL24164137 0.91 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL19849285 0.91 KDM4E (0.50) KDM4EATML3MBTL1ALDH1A1PTPN1

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-11374178-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2022-06-28 US disclosed
EP-3605634-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2020-02-05 EP disclosed