SCHEMBL7216732

SCHEMBL7216732

N#CCNC[CH]C(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CTSL P07711 5/20 0.32
CYP19A1 P11511 2/20 0.32
CTSB P07858 3/20 0.32
CTSS P25774 3/20 0.32
CTSK P43235 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A9 P48067 1/20 0.30
NAMPT P43490 1/20 0.30
MAPK14 Q16539 1/20 0.30

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 0.78 KMT2A (0.40) MAPKAPK2MEN1KMT2ATAAR1PTGDR2
SCHEMBL7220960 0.77 MEN1 (0.35) MEN1KMT2ATAAR1PTGDR2SLC6A9
SCHEMBL7221098 0.72 TAAR1 (0.39) MAPKAPK2MEN1KMT2ATAAR1CYP3A4
SCHEMBL7216749 0.72 LOXL2 (0.38) MAPKAPK2CYP19A1MAPK14
SCHEMBL7221128 0.72 MEN1 (0.36) MAPKAPK2MEN1KMT2ATAAR1SLC6A9
SCHEMBL7221014 0.72 KCNH3 (0.40) MEN1KMT2A
SCHEMBL2789136 0.70 LTA4H (0.42) MAPKAPK2MEN1KMT2ATAAR1CYP19A1
SCHEMBL7220974 0.70 DPP4 (0.38) MAPKAPK2TAAR1CYP19A1MAPK14
SCHEMBL7214541 0.68 USP2 (0.39) MAPKAPK2MEN1KMT2ATAAR1CYP19A1
SCHEMBL7216865 0.66 ACHE (0.43) MEN1KMT2ACYP3A4MAPK14

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