SCHEMBL7983296

SCHEMBL7983296

CN(C(=O)C(F)(F)F)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALPG P10696 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
PARP1 P09874 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL31222334 0.85 RIPK1 (0.46) RIPK1MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL28228308 0.81 ALDH1A1 (0.53) GRM5ALDH1A1LMNAHSD17B1HSD17B2
SCHEMBL14267705 0.80 SIGMAR1 (0.43) GRM5ALDH1A1LMNAMEN1POLB
SCHEMBL7221157 0.80 GRM5 (0.45) RIPK1GRM5KMT2AL3MBTL1SIGMAR1
SCHEMBL1400933 0.79 MTNR1A (0.48) RIPK1MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL2378380 0.79 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1LMNAMEN1
SCHEMBL6555780 0.79 MAPT (0.44) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL4746141 0.78 KMT2A (0.51) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL11541741 0.77 MTNR1A (0.43) RIPK1MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL10947337 0.77 MTNR1A (0.43) RIPK1MTNR1AMTNR1BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed