SCHEMBL7216749

SCHEMBL7216749

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.38
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
LTA4H P09960 1/20 0.35
CYP19A1 P11511 2/20 0.35
ALOX5 P09917 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MAPK14 Q16539 3/20 0.34
GCGR P47871 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ROCK2 O75116 1/20 0.33
AOC3 Q16853 1/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL7220974 0.86 DPP4 (0.38) LOXL2DPP4DPP8USP2RAB9A
SCHEMBL7214541 0.81 USP2 (0.39) DPP4DPP8USP2RAB9ALTA4H
SCHEMBL7221460 0.78 KMT2A (0.40) USP2RAB9ALTA4HROCK2MAPKAPK2
SCHEMBL7221098 0.76 TAAR1 (0.39) MAPK14GCGRSLC6A3MAPKAPK2
SCHEMBL2789136 0.76 LTA4H (0.42) USP2RAB9ALTA4HCYP19A1MAPK14
SCHEMBL7221128 0.76 MEN1 (0.36) DPP4DPP8USP2RAB9ALTA4H
SCHEMBL7216865 0.74 ACHE (0.43) USP2LTA4HMAPK14SLC6A3
SCHEMBL4617053 0.73 HRH1 (0.50) DPP4DPP8CYP19A1SLC6A3
SCHEMBL7216732 0.72 MAPKAPK2 (0.33) CYP19A1MAPK14MAPKAPK2
SCHEMBL7216729 0.72 ACHE (0.48) LTA4HMAPK14SLC6A3

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