SCHEMBL5680628

SCHEMBL5680628

CNC(=O)CCNC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.62
CTSG P08311 1/20 0.62
CTRB1 P17538 1/20 0.62
CMA1 P23946 1/20 0.62
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
NAAA Q02083 1/20 0.56
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL20684933 0.87 HDAC1 (0.75) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL24653262 0.87 HDAC1 (0.75) NAAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15296608 0.84 POLB (0.62) LMNAPOLBSMN1; SMN2GAANPC1
SCHEMBL6385721 0.84 HDAC6 (0.76) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL19392502 0.83 NAAA (0.58) SMN1; SMN2NAAAHDAC3HDAC1HDAC2
SCHEMBL10708907 0.81 PRSS1 (0.66) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL10154034 0.81 GPR139 (0.61) LMNAPOLBSMN1; SMN2NAAAHDAC4
SCHEMBL15296714 0.81 PLK1 (0.64) LMNASMN1; SMN2HDAC3HDAC1HDAC2
Betamipron SCHEMBL4498475 0.81 PRSS1 (0.70) PRSS1CTSGCTRB1CMA1LMNA
Betamipron SCHEMBL605899 0.81 PRSS1 (0.70) PRSS1CTSGCTRB1CMA1LMNA

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-1633347-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP claimed
WO-2004110434-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO claimed
CN-118044519-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-05-17 CN disclosed
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed