SCHEMBL8563372

SCHEMBL8563372

CSc1nc2c(C)ccnc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MAPT P10636 1/20 0.37
NUDT1 P36639 1/20 0.37
MAPK14 Q16539 8/20 0.35
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CBFB Q13951 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL9310095 0.81 ALDH1A1 (0.41) KDM4EMAPTMAPK14ALDH1A1HPGD
SCHEMBL1665498 0.77 PARP1 (0.42) CCR1CCR5CCR8L3MBTL1CBFB
SCHEMBL14336690 0.75 CCR1 (0.35) MAPK12CCR1CCR5CCR8L3MBTL1
SCHEMBL21620891 0.74 NOS3 (0.41) CCR1CCR5CCR8
SCHEMBL8558723 0.74 PSMD14 (0.38) CCR1CCR5CCR8L3MBTL1CBFB
SCHEMBL21620456 0.74 CCNB2 (0.40) CCR1CCR5CCR8L3MBTL1MAPK10
SCHEMBL12778304 0.74 CCR1 (0.38) CCR1CCR5CCR8L3MBTL1CBFB
SCHEMBL1665479 0.72 TNKS (0.51) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL15925243 0.71 DAO (0.40)
SCHEMBL4370028 0.71 ADORA1 (0.41) MAPK12CCR1CCR5CCR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598702-B1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same EISAI CO LTD (JP) 1998-06-10 EP disclosed
US-5506238-A HYPOTENSIVE AGENT EISAI CO., LTD. (JP) 1996-04-09 US disclosed
EP-0628557-A1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-12-14 EP disclosed
US-5328911-A Cardiovascular disorders, hypotensive agents and congestive heart failure EISAI CO., LTD. (JP) 1994-07-12 US disclosed
EP-0598702-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-05-25 EP disclosed
US-5298518-A Biphenylmethane derivative and pharmacological use EISAI CO., LTD. (JP) 1994-03-29 US disclosed
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed