SCHEMBL6996877

SCHEMBL6996877

CCOC(=O)C1CCN(Cc2csc(C)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 7/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL6994266 0.84 KMT2A (0.53) ALDH1A1KDM4EKMT2ASMN1; SMN2GAA
SCHEMBL14456693 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2ASMN1; SMN2GAA
SCHEMBL5339147 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2ASMN1; SMN2HSD17B10
SCHEMBL5342007 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2ASMN1; SMN2HSD17B10
SCHEMBL6995476 0.75 L3MBTL1 (0.67) ALDH1A1KDM4EKMT2ASMN1; SMN2HSD17B10
SCHEMBL2595538 0.74 HSD17B10 (0.48) ALDH1A1KMT2ASMN1; SMN2GAAHSD17B10
SCHEMBL2595536 0.74 HSD17B10 (0.48) ALDH1A1KMT2ASMN1; SMN2GAAHSD17B10
SCHEMBL8909931 0.73 ALDH1A1 (0.74) ALDH1A1KDM4EKMT2ASMN1; SMN2GAA
SCHEMBL14107969 0.73 KMT2A (0.54) ALDH1A1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL24109309 0.73 KMT2A (0.65) ALDH1A1KMT2ASMN1; SMN2GAATSHR

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-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed