SCHEMBL21671298

SCHEMBL21671298

c1ccc2c(c1)sc1c(-n3c4ccccc4c4cccc(-n5c6ccccc6c6cccc(-n7c8ccccc8c8ccccc87)c65)c43)cccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TNKS O95271 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP14 Q460N5 1/20 0.34
TP53 P04637 2/20 0.33
DUSP3 P51452 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKDC P78527 2/20 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
SCHEMBL21671076 1.00 GPR3 (0.39) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL2548411 0.94 GPR3 (0.45) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL18086148 0.92 GPR3 (0.41) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL18381843 0.92 GPR3 (0.43) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL17246419 0.91 GPR3 (0.39) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL16482317 0.89 ALOX5 (0.35) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL15128465 0.89 GPR3 (0.43) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL15582935 0.88 ALOX5 (0.42) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL17206537 0.87 GPR3 (0.36) GPR3ALOX5ALDH1A1TNKSTNKS2
SCHEMBL25010826 0.86 ALOX5 (0.38) GPR3ALOX5ALDH1A1TNKSTNKS2

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