SCHEMBL8432202

SCHEMBL8432202

O=C(O)c1ccccc1C(=O)NCc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 1.00
KMT2A Q03164 4/20 0.73
HTT P42858 3/20 0.73
HPGD P15428 1/20 0.72
TSHR P16473 1/20 0.72
ALDH1A1 P00352 5/20 0.71
LMNA P02545 1/20 0.67
SORT1 Q99523 1/20 0.67
APEX1 P27695 1/20 0.67
MAPK1 P28482 1/20 0.62
MEN1 O00255 1/20 0.60
ALOX15 P16050 1/20 0.60
KDM4E B2RXH2 1/20 0.60
HSD17B10 Q99714 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL29392319 0.87 USP2 (0.77) USP2KMT2AHTTHPGDTSHR
SCHEMBL10674129 0.86 USP2 (0.75) USP2KMT2AHTTHPGDTSHR
SCHEMBL8635709 0.84 KMT2A (1.00) USP2KMT2AHTTHPGDLMNA
SCHEMBL1984940 0.84 KMT2A (1.00) USP2KMT2AHTTHPGDLMNA
SCHEMBL13161966 0.84 USP2 (0.72) USP2KMT2AHTTHPGDTSHR
SCHEMBL6987102 0.84 USP2 (0.72) USP2KMT2AHTTHPGDTSHR
SCHEMBL1399530 0.84 USP2 (0.72) USP2KMT2AHTTHPGDTSHR
SCHEMBL11625657 0.84 USP2 (0.72) USP2KMT2AHTTHPGDTSHR
SCHEMBL18477517 0.84 USP2 (0.72) USP2KMT2AHTTHPGDTSHR
SCHEMBL1161997 0.83 NAMPT (0.75) USP2KMT2AHTTALDH1A1LMNA

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
US-5891737-A ORTHOGONALLY PROTECTED TRIFUNCTIONAL SCAFFOLDS FOR SOLID PHASE SYNTHESIS OF PEPTIDOMIMETIC COMBINATORIAL LIBRARY ZYMOGENETICS, INC. (US) 1999-04-06 US disclosed
US-5646285-A ORTHOGONALLY PROTECTED COMPOUNDS ZYMOGENETICS, INC. (US) 1997-07-08 US disclosed