SCHEMBL14534275

SCHEMBL14534275

CCN(CC)c1ccc2c(-c3ccccc3C(=O)NCCN)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.54
▸ ATM Q13315 3/20 0.52
▸ USP2 O75604 2/20 0.52
▸ CFTR P13569 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ GOPC Q9HD26 1/20 0.52
▸ FPR2 P25090 4/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ P2RY6 Q15077 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL13179036 0.85 ABCB1 (0.56) ABCB1ATMUSP2CFTRPAX8
SCHEMBL10040697 0.85 ABCB1 (0.71) ABCB1ATMUSP2CFTRPAX8
SCHEMBL13820288 0.82 ABCB1 (0.59) ABCB1ATMUSP2CFTRPAX8
SCHEMBL23969944 0.82 ABCB1 (0.51) ABCB1ATMUSP2CFTRPAX8
SCHEMBL13033321 0.82 MEN1 (0.56) USP2FPR2TGM2KMT2AMEN1
SCHEMBL13662482 0.81 ABCB1 (0.68) ABCB1ATMUSP2CFTRPAX8
SCHEMBL14263967 0.81 ABCB1 (0.51) ABCB1ATMUSP2CFTRPAX8
SCHEMBL17348121 0.79 TGM2 (0.55) USP2FPR2TGM2KMT2AMEN1
SCHEMBL14263966 0.79 ABCB1 (0.49) ABCB1ATMUSP2CFTRPAX8
SCHEMBL14219787 0.79 ABCB1 (0.55) ABCB1ATMUSP2CFTRPAX8

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-20070099256-A1 Chemical derivatization, detection, and identification of peptide and protein modifications Apricot Ideas, Inc. 2007-05-03 — — US disclosed
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