SCHEMBL7220960

SCHEMBL7220960

OCCCNC[CH]C(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAPK14 Q16539 5/20 0.34
MAP4K4 O95819 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CDC42BPA Q5VT25 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
KCNH3 Q9ULD8 2/20 0.33
SLC6A9 P48067 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL7221460 0.80 KMT2A (0.40) MEN1KMT2ATAAR1SLC6A9PTGDR2
SCHEMBL7216732 0.77 MAPKAPK2 (0.33) MEN1KMT2ATAAR1MAPK14SLC6A9
SCHEMBL7221128 0.74 MEN1 (0.36) MEN1KMT2ATAAR1SLC6A9
SCHEMBL7221098 0.71 TAAR1 (0.39) MEN1KMT2ATAAR1MAPK14SLC6A9
SCHEMBL7216749 0.71 LOXL2 (0.38) MAPK14SLC6A3
SCHEMBL2789136 0.69 LTA4H (0.42) MEN1KMT2ATAAR1MAPK14SLC6A9
SCHEMBL7220974 0.69 DPP4 (0.38) TAAR1MAPK14SLC6A3
SCHEMBL7221014 0.69 KCNH3 (0.40) MEN1KMT2AKCNH3
SCHEMBL7214541 0.67 USP2 (0.39) MEN1KMT2ATAAR1MAPK14SLC6A2
SCHEMBL8919343 0.65 USP2 (0.39) MEN1KMT2ATAAR1MAPK14MAPK9

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-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed