SCHEMBL7820366

SCHEMBL7820366

Nc1ccc2nc(NC(=O)O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
PLAU P00749 3/20 0.50
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.41
KCNH2 Q12809 2/20 0.41
MEN1 O00255 1/20 0.41
F2 P00734 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL7820370 0.88 PLAU (0.52) LMNAKDM4EPOLBCASP6PLAU
SCHEMBL7820537 0.78 ALDH1A1 (0.48) LMNAKDM4EKMT2AMEN1ACHE
SCHEMBL28056008 0.75 NPC1 (0.72) POLBNPC1RAB9AKMT2AADORA3
SCHEMBL8900732 0.75 PLAU (0.57) LMNAKDM4EPOLBCASP6PLAU
SCHEMBL10465204 0.74 MGAM (0.56) LMNAKDM4EPOLBCASP6PLAU
SCHEMBL16114562 0.72 RAB9A (0.49) LMNAKDM4EPOLBPLAUNPC1
SCHEMBL21070179 0.71 ROCK2 (0.58) NPC1RAB9AKMT2ASMN1; SMN2NFKB1
SCHEMBL15651778 0.70 PLAU (0.50) LMNAKDM4EPOLBCASP6PLAU
SCHEMBL7820237 0.70 NPC1 (0.44) LMNAKDM4EPOLBNPC1RAB9A
SCHEMBL15450991 0.70 DYRK1A (0.51) LMNAKDM4ENPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533200-B1 Preparation and use of novel activated carbamates WATERS INVESTMENTS LTD (US) 2001-12-05 EP claimed