SCHEMBL8916315

SCHEMBL8916315

N#CCn1cc(/C=C/C(=O)NC(Cc2ccccn2)c2cccc(Cl)c2)c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCAF1 Q9Y4B6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.36
MAPT P10636 3/20 0.36
PLA2G1B P04054 2/20 0.35
ATG4B Q9Y4P1 2/20 0.35
HPGD P15428 2/20 0.35
F11 P03951 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8916323 1.00 DCAF1 (0.42) DCAF1SMN1; SMN2KDM4ERECQLGAA
SCHEMBL8916027 0.85 DCAF1 (0.35) DCAF1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8916020 0.85 DCAF1 (0.35) DCAF1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL8914261 0.82 MAPT (0.35) SMN1; SMN2KDM4ERECQLGAAPKM
SCHEMBL8914267 0.82 MAPT (0.35) SMN1; SMN2KDM4ERECQLGAAPKM
SCHEMBL8912643 0.80 MAPK1 (0.43) DCAF1KDM4EALDH1A1MAPK1MAPT
SCHEMBL8912655 0.80 MAPK1 (0.43) DCAF1KDM4EALDH1A1MAPK1MAPT
SCHEMBL8915198 0.70 ALDH1A1 (0.55) SMN1; SMN2KDM4EGAAATMKMT2A
SCHEMBL8912941 0.68 RAB9A (0.34) SMN1; SMN2KDM4EKMT2AALDH1A1MEN1
SCHEMBL8912946 0.68 RAB9A (0.34) SMN1; SMN2KDM4EKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5606073-A INTERMEDIATES FOR ADENOSINE ANTAGONISTS EISAI CO., LTD. (JP) 1997-02-25 US disclosed
US-5541213-A ADENOSINE A1 RECEPTOR ANTAGONISTS, TREATMENT OF KIDNEY DISORDERS EISAI CO., LTD. (JP) 1996-07-30 US disclosed
EP-0630894-A1 Propenoic acid derivatives as adenosine A1 antagonists Eisai Co., Ltd. (JP) 1994-12-28 EP disclosed