SCHEMBL8313649

SCHEMBL8313649

C#CCCOC(=O)N1CCc2c(sc(NC(=O)C(C)N)c2C(=O)c2ccccc2Cl)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
PDE4D Q08499 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL8315668 0.92 ALDH1A1 (0.46) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL8315473 0.85 ALDH1A1 (0.48) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL8311191 0.84 MAPT (0.47) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL8310230 0.82 ALDH1A1 (0.44) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL9079552 0.79 PDE4D (0.60) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL6013455 0.77 PDE4D (0.60) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL8311271 0.77 KMT2A (0.48) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL8316470 0.75 NPSR1 (0.40) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL8315189 0.74 ALDH1A1 (0.44) ALDH1A1NPSR1LMNAKMT2AKDM4E
SCHEMBL6013476 0.74 ADORA1 (0.56) ALDH1A1NPSR1LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367110-B1 1,4-diazepine derivative and its pharmaceutical use EISAI CO LTD (JP) 1999-08-11 EP disclosed
US-5482937-A ANTIALLERGENS AND PLATELET ACTIVATING FACTOR FOR TREATMENT OF INFLAMMATION EISAI CO., LTD. (JP) 1996-01-09 US disclosed
US-5468740-A Anti-platelet activating factor activity; antiallergens, antiasthmatics EISAI CO., LTD. (JP) 1995-11-21 US disclosed
EP-0677524-A1 Thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepine derivatives as PAF antagonists Eisai Co., Ltd. (JP) 1995-10-18 EP disclosed
US-5438045-A An 3-acetyl-6-phenyl-2,3,4,5-tetrahydro-8h-pyrido(4'3':4,5)-thieno(3,2 -f)(1,2,4)triazolo(4,3-a)(1,4)diazepine derivative; antiallergens; asthma; antiplatelet activating factor activity EISAI CO., LTD. (JP) 1995-08-01 US disclosed
US-5382579-A Platelet activating factor antagonists; antiallergens; asthma EISAI CO., LTD. (JP) 1995-01-17 US disclosed
EP-0606103-A1 Thieno 3.2-f 1,2,4 triazolo 4,3-a 1,4 -diazepine derivatives as PAF antagonists Eisai Co., Ltd. (JP) 1994-07-13 EP disclosed
US-5304553-A Antiallergens; platelet activating factor inhibitor EISAI CO., LTD. (JP) 1994-04-19 US disclosed
US-5221671-A Antiallergens, bronchodilator agents EISAI CO., LTD. (JP) 1993-06-22 US disclosed
EP-0367110-A1 1,4-diazepine derivative and its pharmaceutical use Eisai Co., Ltd. (JP) 1990-05-09 EP disclosed