SCHEMBL21671296

SCHEMBL21671296

c1ccc2c(c1)oc1c(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cccc(-n7c8ccccc8c8ccccc87)c65)c43)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALOX5 P09917 3/20 0.37
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AHR P35869 1/20 0.35
MAOA P21397 3/20 0.34
DRD4 P21917 1/20 0.34
DUSP3 P51452 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
PRKDC P78527 4/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 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
SCHEMBL21671074 1.00 ALDH1A1 (0.38) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL18086131 0.94 ALOX5 (0.39) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL15430617 0.94 ALDH1A1 (0.42) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL18381756 0.92 ALDH1A1 (0.41) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL15759619 0.91 ALOX5 (0.37) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL16482136 0.89 ALDH1A1 (0.33) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL17206539 0.87 ALOX5 (0.35) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL15462296 0.87 KDM4E (0.47) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL15434812 0.87 ALOX5 (0.35) ALDH1A1ALOX5MEN1CYP2C19KMT2A
SCHEMBL21671075 0.86 MEN1 (0.38) ALDH1A1ALOX5MEN1CYP2C19KMT2A

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