SCHEMBL5745855

SCHEMBL5745855

CC(=O)C(C#N)CC(=O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
ALPG P10696 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTPN1 P18031 1/20 0.44
HTR7 P34969 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
CTSL P07711 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAD52 P43351 1/20 0.40
PLOD2 O00469 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1156084 0.82 KMT2A (0.47) LMNASMN1; SMN2ALDH1A1ALPGKMT2A
SCHEMBL5747073 0.80 HDAC3 (0.45) SMN1; SMN2HPGD
SCHEMBL194868 0.80 SMN1; SMN2 (0.50) LMNASMN1; SMN2ALDH1A1ALPGKMT2A
SCHEMBL5747079 0.79 CES2 (0.45) ALDH1A1KMT2ACES2CES1
SCHEMBL5747327 0.77 HPGD (0.46) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5746377 0.76 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9APTPN1
SCHEMBL5744325 0.76 MAPT (0.49) ALDH1A1RAB9AL3MBTL1
SCHEMBL5746000 0.75 PTPN1 (0.44) LMNASMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL5746357 0.75 CYP1A2 (0.42) ALDH1A1L3MBTL1
SCHEMBL9756778 0.75 PTPN1 (0.48) ALDH1A1KMT2ANPC1RAB9APTPN1

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