SCHEMBL159111

SCHEMBL159111

O=C=C1NCCCC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.35
SLC6A1 P30531 2/20 0.34
TSHR P16473 2/20 0.34
SLC6A11 P48066 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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
Water SCHEMBL28162895 0.98 L3MBTL1 (0.39) L3MBTL1POLBSLC6A1TSHRSLC6A11
SCHEMBL25345420 0.88 GABRP (0.32) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL27553202 0.85 ALDH1A1 (0.35) L3MBTL1ALDH1A1
SCHEMBL27849084 0.83 L3MBTL1 (0.39) L3MBTL1POLBSLC6A1TSHRSLC6A11
SCHEMBL3457896 0.83 L3MBTL1 (0.39) L3MBTL1KMT2AHTTALDH1A1KLK5
SCHEMBL5623219 0.80 L3MBTL1 (0.37) L3MBTL1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL27651779 0.79 L3MBTL1 (0.36) L3MBTL1POLBHTTALDH1A1KLK5
SCHEMBL27701667 0.75
SCHEMBL27598052 0.74
SCHEMBL14811830 0.74 L3MBTL1 (0.61) L3MBTL1POLBTSHRSMN1; SMN2MEN1

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
CN-101516889-B Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD 2013-07-31 CN disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO disclosed
CN-101595103-A Pyrimidine derivatives ASTRAZENECA AB (SE) 2009-12-02 CN disclosed
CN-101516889-A Derivatives and analogs of n-ethylquinolones and n-ethylazaquinolones GLAXO GROUP LTD (GB) 2009-08-26 CN disclosed
CN-1433416-A N-[5-[[[5-alkyl-2-oxazolyl]methyl]thio]-2-thiazolyl] carboxamideinhibitors of cyclin dependent kinases BRISTOL MYERS SQUIBB CO (US) 2003-07-30 CN disclosed
US-4743598-A Antibacterial 2-(azacycloalkyl) penems SCHERING CORPORATION (US) 1988-05-10 US disclosed