SCHEMBL7220570

SCHEMBL7220570

Cc1nccn1C[CH]C(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.37
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP19A1 P11511 2/20 0.34
CYP17A1 P05093 2/20 0.33
NAMPT P43490 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
SCHEMBL7220263 0.75 QPCT (0.37) CYP19A1CYP17A1
SCHEMBL7216865 0.72 ACHE (0.43) KCNH2KMT2AMEN1MAPK1
SCHEMBL7570570 0.71 ALDH1A1 (0.50) KMT2AALDH1A1POLBMEN1
SCHEMBL7216749 0.70 LOXL2 (0.38) CYP19A1
SCHEMBL7216927 0.69 KDM4E (0.49) KCNH2ALDH1A1MITFMAPK1
SCHEMBL7214446 0.69 NPC1 (0.38) KMT2AALDH1A1POLBMEN1MAPK1
SCHEMBL7220974 0.68 DPP4 (0.38) CYP19A1CYP17A1
SCHEMBL7221098 0.68 TAAR1 (0.39) KCNH2KMT2AMEN1CYP17A1
SCHEMBL7220444 0.68 PRCP (0.41)
SCHEMBL7221460 0.67 KMT2A (0.40) KMT2AMEN1

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