SCHEMBL6185432

SCHEMBL6185432

NC(=O)C1NCCN(C(N)=O)C1Cc1cccs1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 4/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK8 P45983 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL1379285 0.70 KMT2A (0.42) POLBALDH1A1KMT2AHPGDRAB9A
SCHEMBL27803560 0.68 CA1 (0.43) POLBHSD17B10
SCHEMBL2511722 0.67 POLB (0.42) POLBALDH1A1HSD17B10KMT2AHPGD
SCHEMBL6190577 0.67
SCHEMBL5634180 0.66 KDM4E (0.37) ALDH1A1HSD17B10KMT2AMAPTSMN1; SMN2
SCHEMBL1380847 0.64 OPRD1 (0.36) KMT2A
SCHEMBL6185437 0.64 GLA (0.49) POLBALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL5636647 0.63 MEN1 (0.34) ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5634649 0.62 TBXAS1 (0.39)
SCHEMBL12878152 0.61

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-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP disclosed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO disclosed