SCHEMBL29808357

SCHEMBL29808357

c1ccc2c(c1)ccc1c2ccc2cnc3ccccc3c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
GPR3 P46089 1/20 0.62
HPRT1 P00492 3/20 0.52
CYP3A4 P08684 2/20 0.48
PDPK1 O15530 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL28054044 1.00 KDM4E (0.62) KDM4EGPR3HPRT1CYP3A4PDPK1
SCHEMBL159417 0.90 KDM4E (0.63) KDM4EGPR3HPRT1CYP3A4PDPK1
Ammonia Solution, Strong SCHEMBL28354795 0.89 KDM4E (0.61) KDM4EGPR3HPRT1CYP3A4PDPK1
SCHEMBL31187577 0.86 KDM4E (0.58) KDM4EGPR3HPRT1CYP3A4PDPK1
SCHEMBL29827472 0.82 GPR3 (0.69) KDM4EGPR3HPRT1CYP3A4LMNA
SCHEMBL241476 0.82 GPR3 (0.69) KDM4EGPR3HPRT1CYP3A4LMNA
SCHEMBL10025809 0.81 KDM4E (0.55) KDM4EGPR3HPRT1CYP3A4PDPK1
SCHEMBL10025814 0.81 KDM4E (0.55) KDM4EGPR3HPRT1CYP3A4LMNA
SCHEMBL2042411 0.79 CYP3A4 (0.60) KDM4EGPR3CYP3A4PDPK1LMNA
Isoquinoline SCHEMBL9719470 0.78 KDM4E (0.49) KDM4EGPR3CYP3A4PDPK1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115769696-A Organic electroluminescent element 日铁化学材料株式会社 2023-03-07 CN disclosed
CN-115443552-A Material for organic electroluminescent element and organic electroluminescent element 日铁化学材料株式会社 2022-12-06 CN disclosed
CN-115443551-A Material for organic electroluminescent element and organic electroluminescent element 日铁化学材料株式会社 2022-12-06 CN disclosed
CN-115336027-A Organic electroluminescent element 日铁化学材料株式会社 2022-11-11 CN disclosed
CN-114830367-A Organic electroluminescent element and method for manufacturing the same 日铁化学材料株式会社 2022-07-29 CN disclosed