SCHEMBL6619362

SCHEMBL6619362

CC(C)NC(=O)c1cc(C#N)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.60
TMPRSS4 Q9NRS4 3/20 0.52
XDH P47989 2/20 0.49
P2RX1 P51575 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
JAK3 P52333 2/20 0.43
MAP4K4 O95819 2/20 0.43
MINK1 Q8N4C8 2/20 0.43
TNIK Q9UKE5 2/20 0.43
EGLN2 Q96KS0 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19249058 0.83 TRPA1 (0.57) XDHALDH1A1LMNAJAK2JAK1
SCHEMBL19249057 0.82 ALDH1A1 (0.49) XDHALDH1A1HPGDMEN1KMT2A
SCHEMBL12670950 0.80 TRPA1 (0.56) XDHALDH1A1LMNAMEN1KMT2A
SCHEMBL1417628 0.80 FLT1 (0.54) XDHALDH1A1LMNAJAK2JAK1
SCHEMBL546514 0.79 CA12 (0.61) TMPRSS4XDHP2RX1LMNAMEN1
SCHEMBL19074375 0.78 ALOX5 (0.70) ALOX5XDHP2RX1ALDH1A1LMNA
SCHEMBL23854882 0.77 TMPRSS4 (0.41) ALOX5TMPRSS4P2RX1ALDH1A1HPGD
SCHEMBL21884387 0.77 TMPRSS4 (0.41) ALOX5TMPRSS4P2RX1ALDH1A1HPGD
SCHEMBL311893 0.76 TMPRSS4 (0.52) TMPRSS4XDHP2RX1ALDH1A1HPGD
SCHEMBL30591460 0.76 ALOX5 (0.66) ALOX5TMPRSS4XDHP2RX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed