SCHEMBL21113628

SCHEMBL21113628

CC(=O)c1cccc(/C(C)=N/c2c(C)cccc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
FURIN P09958 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL18543891 0.91 FURIN (0.47) KCNK3KCNK9ALDH1A1NPC1RAB9A
SCHEMBL1071463 0.80 GRIN2D (0.44) TDP1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL1071468 0.80 GRIN2D (0.44) TDP1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL21113634 0.79 KMT2A (0.43) TDP1KCNK3KCNK9ALDH1A1NPC1
SCHEMBL24404284 0.77 KMT2A (0.49) TDP1ALDH1A1NPC1RAB9AFURIN
SCHEMBL21113691 0.77 KMT2A (0.49) TDP1ALDH1A1NPC1RAB9AFURIN
SCHEMBL279656 0.77 ALDH1A1 (0.59) TDP1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL28335536 0.76 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL17341964 0.74 GRIN2D (0.42) TDP1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL31436328 0.71 LMNA (0.46) ALDH1A1NPC1RAB9AKMT2AMEN1

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
EP-3517555-A1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF China Petroleum&Chemical Corporation (CN) 2019-07-31 EP claimed
US-20190211119-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-07-11 US claimed
US-11325994-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2022-05-10 US disclosed
EP-3517555-A1 CATALYST COMPONENT FOR USE IN OLEFIN POLYMERIZATION, CATALYST, AND APPLICATIONS THEREOF China Petroleum&Chemical Corporation (CN) 2019-07-31 EP disclosed
US-20190211119-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST, AND USE THEREOF BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2019-07-11 US disclosed