SCHEMBL28636611

SCHEMBL28636611

On1nc2ccccc2n1.c1ncncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 2/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.33
EGFR P00533 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
STAT1 P42224 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
GPR3 P46089 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL103176 0.89 KDM4E (0.55) KDM4EHPGDNPC1RAB9ALMNA
Ammonia Solution, Strong SCHEMBL2472975 0.87 KDM4E (0.52) KDM4EHPGDNPC1RAB9ALMNA
Water SCHEMBL994995 0.87 KDM4E (0.52) KDM4EHPGDNPC1RAB9ALMNA
Phosphoric Acid SCHEMBL3486089 0.78 KDM4E (0.44) KDM4EHPGDNPC1RAB9ALMNA
Benzophenone SCHEMBL8429418 0.73 ALDH1A1 (0.58) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL11759680 0.67 ALOX5 (0.42) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL31031292 0.66 KDM4E (0.52) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL28499703 0.65 ACHE (0.52) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL12196763 0.65 KDM4E (0.52) KDM4EHPGDNPC1RAB9ALMNA
SCHEMBL31223179 0.64 RAB9A (0.39) NPC1RAB9ALMNAATMMAPK1

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
CN-113527937-A Water-based organic nano ink applied to organic thin film device and preparation method thereof 深创高新产业研究中心(深圳)有限公司 2021-10-22 CN claimed
CN-113527937-A Water-based organic nano ink applied to organic thin film device and preparation method thereof 深创高新产业研究中心(深圳)有限公司 2021-10-22 CN disclosed