SCHEMBL3207450

SCHEMBL3207450

O=C(O)C1Cc2ccccc2CN1C(=O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.48
POLB P06746 3/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
CFTR P13569 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ACE P12821 2/20 0.43
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
PLG P00747 1/20 0.42
PROC P04070 1/20 0.42
FFAR2 O15552 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL3221049 0.96 AGTR2 (0.45) AGTR2POLBLMNAPKMCFTR
SCHEMBL28560316 0.86 CFTR (0.57) POLBLMNAPKMCFTRTDP1
SCHEMBL29409296 0.86 CFTR (0.57) POLBLMNAPKMCFTRTDP1
SCHEMBL4111979 0.80 TDP1 (0.62) POLBLMNAPKMCFTRTDP1
SCHEMBL3200492 0.79 FFAR2 (0.46) FFAR2
SCHEMBL774094 0.79 FFAR2 (0.46) FFAR2
SCHEMBL13423748 0.78 CFTR (0.43) LMNAPKMCFTRF10PRSS1
SCHEMBL8495772 0.78 LMNA (0.61) POLBLMNAPKMCFTRTDP1
SCHEMBL4108015 0.77 LMNA (0.50) POLBLMNAPKMCFTRTDP1
SCHEMBL3197745 0.77 GLP1R (0.42) LMNAPKMCFTRF10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed