SCHEMBL6983400

SCHEMBL6983400

O=C(O)COc1ccc(NC(=O)Nc2ccccc2Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.70
KMT2A Q03164 7/20 0.70
MAPT P10636 6/20 0.70
LMNA P02545 4/20 0.70
NPSR1 Q6W5P4 2/20 0.70
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
POLB P06746 4/20 0.63
KDM4E B2RXH2 1/20 0.63
GAA P10253 1/20 0.63
MAPK1 P28482 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
CASP3 P42574 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
ALOX5 P09917 1/20 0.57
EPHX2 P34913 1/20 0.57
ALDH1A1 P00352 1/20 0.56
PTPN7 P35236 1/20 0.56

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
SCHEMBL1305413 0.85 KMT2A (0.75) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11847456 0.85 MAPT (0.72) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6975401 0.84 HRH3 (0.65) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6973229 0.84 MAPT (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6982577 0.84 KMT2A (0.66) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6978535 0.83 MEN1 (0.61) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL30516130 0.83 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL20211616 0.83 MEN1 (1.00) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL6973249 0.83 MEN1 (0.68) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL1700678 0.81 MEN1 (0.87) MEN1KMT2AMAPTLMNANPSR1

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-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed