SCHEMBL5592824

SCHEMBL5592824

O=C(CCNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.68
CTSG P08311 1/20 0.68
CTRB1 P17538 1/20 0.68
CMA1 P23946 1/20 0.68
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 3/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
EPHX2 P34913 1/20 0.58
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 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
SCHEMBL6202779 0.89 NPC1 (0.64) PRSS1CTSGCTRB1CMA1GAA
Betamipron SCHEMBL4498475 0.86 PRSS1 (0.70) PRSS1CTSGCTRB1CMA1GAA
Betamipron SCHEMBL605899 0.86 PRSS1 (0.70) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL22982704 0.86 MAPT (0.58) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL3192014 0.85 LMNA (0.77) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL10523300 0.82 NR4A2 (0.59) GAASMN1; SMN2LMNAPOLBHDAC1
SCHEMBL11776576 0.82 ALDH1A1 (0.55) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL30662627 0.82 SMN1; SMN2 (0.54) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL11146458 0.82 PRSS1 (0.66) PRSS1CTSGCTRB1CMA1GAA
SCHEMBL10708907 0.82 PRSS1 (0.66) PRSS1CTSGCTRB1CMA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed
WO-2007029021-A1 1,5-SUBSTITUTED TETRAZOLES AS THERAPEUTIC COMPOUNDS THE UNIVERSITY OF EDINBURGH (GB) 2007-03-15 WO disclosed