SCHEMBL6277375

SCHEMBL6277375

NC(CCC(=O)O)C(=O)N1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
TSHR P16473 4/20 0.56
MAPT P10636 7/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HTT P42858 3/20 0.49

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
SCHEMBL6277373 1.00 NOTUM (0.62) NOTUMTSHRMAPTMEN1KMT2A
SCHEMBL6277378 0.89 TSHR (0.56) NOTUMTSHRMAPTMEN1KMT2A
SCHEMBL2374156 0.82 TSHR (0.67) NOTUMTSHRMAPTMEN1KMT2A
SCHEMBL2374151 0.82 TSHR (0.67) NOTUMTSHRMAPTMEN1KMT2A
SCHEMBL6279493 0.82 ABHD6 (0.48) NOTUMTSHRKMT2APOLBL3MBTL1
SCHEMBL6279495 0.82 ABHD6 (0.48) NOTUMTSHRKMT2APOLBL3MBTL1
SCHEMBL6563057 0.81 TSHR (0.68) NOTUMTSHRMAPTMEN1KMT2A
SCHEMBL1769382 0.81 TSHR (0.68) NOTUMTSHRMAPTMEN1KMT2A
SCHEMBL14527130 0.77 TSHR (0.63) NOTUMTSHRMAPTMEN1KMT2A
SCHEMBL31650229 0.77 NOTUM (1.00) NOTUMTSHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161418-B1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RES COUNCIL (GB) 2005-12-28 EP disclosed
US-6765014-B1 DRUG DELIVERY OF NEUROACTIVE AMINO ACIDS OR METAL CHELATORS MEDICAL RESEARCH COUNCIL (GB) 2004-07-20 US disclosed
EP-1161418-A1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RESEARCH COUNCIL (GB) 2001-12-12 EP disclosed
WO-2000055133-A1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RESEARCH COUNCIL (GB) 2000-09-21 WO disclosed