SCHEMBL9538253

SCHEMBL9538253

Cc1nc2ccccc2n1C(O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
TSHR P16473 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 3/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.47
AGER Q15109 1/20 0.47
APAF1 O14727 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TNF P01375 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10538765 0.82 LMNA (0.51) LMNATSHRKMT2AMEN1KDM4E
SCHEMBL4089127 0.81 LMNA (0.48) LMNATSHRKMT2AMEN1KDM4E
SCHEMBL2854775 0.78 HSD17B10 (0.57) LMNATSHRKMT2AKDM4EMAPK1
SCHEMBL6910150 0.78 TSHR (0.53) LMNATSHRKMT2AMEN1KDM4E
SCHEMBL28923753 0.78 APAF1 (0.56) LMNATSHRKMT2AMEN1KDM4E
SCHEMBL6282436 0.78 TSHR (0.53) LMNATSHRKMT2AMEN1KDM4E
SCHEMBL13870967 0.77 SLC6A2 (0.57)
SCHEMBL4077337 0.77 SLC6A2 (0.57)
Hydrochloric Acid SCHEMBL4079007 0.76 SLC6A2 (0.57)
SCHEMBL18250744 0.74 HTT (0.55) LMNATSHRKMT2AMEN1KDM4E

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
EP-0527817-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-24 EP disclosed
WO-1991017157-A1 GAMMA-BUTYROLACTOL ETHER DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1991-11-14 WO disclosed