SCHEMBL5746092

SCHEMBL5746092

CC(=O)C(C#N)C(C)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
MAPT P10636 3/20 0.37
XBP1 P17861 2/20 0.37

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
SCHEMBL194023 0.84 LMNA (0.46) LMNAALDH1A1SMN1; SMN2NPSR1PGR
SCHEMBL5744280 0.82 SLC6A2 (0.49) ALDH1A1SMN1; SMN2HRH1KCNH2KMT2A
SCHEMBL11434598 0.80 PGR (0.44) LMNAALDH1A1SMN1; SMN2NPSR1PGR
SCHEMBL5743836 0.78 CES2 (0.44) LMNAALDH1A1SMN1; SMN2KMT2ACES2
SCHEMBL13039632 0.77 LMNA (0.56) LMNAALDH1A1SMN1; SMN2NPSR1PGR
SCHEMBL741168 0.76 PGR (0.47) LMNAALDH1A1SMN1; SMN2NPSR1PGR
SCHEMBL15834920 0.75 LMNA (0.55) LMNAALDH1A1SMN1; SMN2NPSR1PGR
SCHEMBL12251084 0.75 LMNA (0.55) LMNAALDH1A1SMN1; SMN2NPSR1PGR
SCHEMBL5746967 0.74 SMN1; SMN2 (0.47) LMNAALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL5746425 0.74 SLC6A2 (0.50) LMNAALDH1A1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 EP disclosed
CN-1090617-C Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 2002-09-11 CN disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 US disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 EP disclosed