SCHEMBL7221014

SCHEMBL7221014

Fc1ccc(C([CH]CNCC2CCCCO2)c2ccncc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 5/20 0.38
PKM P14618 2/20 0.38
HSD17B10 Q99714 2/20 0.37
HTT P42858 3/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7216732 0.72 MAPKAPK2 (0.33) KMT2AMEN1
SCHEMBL7221460 0.70 KMT2A (0.40) L3MBTL1RAB9AKMT2AHSD17B10MEN1
SCHEMBL7220960 0.69 MEN1 (0.35) KCNH3KMT2AMEN1
SCHEMBL2237397 0.66 KMT2A (0.71) KCNH3ALDH1A1KDM4ELMNAPOLB
SCHEMBL7216749 0.65 LOXL2 (0.38) RAB9A
SCHEMBL7221128 0.65 MEN1 (0.36) L3MBTL1RAB9AKMT2AMEN1
SCHEMBL7216865 0.64 ACHE (0.43) LMNAL3MBTL1KMT2AMEN1TSHR
SCHEMBL7216927 0.64 KDM4E (0.49) ALDH1A1KDM4ELMNAATMSMN1; SMN2
SCHEMBL7215286 0.63 KMT2A (0.46) ALDH1A1KDM4EKMT2APKMMEN1
SCHEMBL2789136 0.63 LTA4H (0.42) RAB9AKMT2AMEN1

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
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