SCHEMBL28015673

SCHEMBL28015673

O=c1[nH]ccn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 6/20 0.68
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
UBE2N P61088 1/20 0.42
HSP90B1 P14625 1/20 0.42
TRAP1 Q12931 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
DAO P14920 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
BCHE P06276 1/20 0.41
CYP3A4 P08684 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
SCHEMBL10978060 0.79 DBH (0.68) DBHKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8583692 0.78 DBH (0.45) DBHPOLBALDH1A1TP53CYP1A2
SCHEMBL7690163 0.78 DBH (0.45) DBHKMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4101771 0.78 DBH (0.62) DBHKMT2ASMN1; SMN2HTTPOLB
SCHEMBL27281887 0.75 CNOT7 (0.43) DBHPOLBALDH1A1CYP1A2CYP3A4
SCHEMBL21382645 0.74 CYP11B1 (0.44) DBHPOLBDAOALDH1A1CYP1A2
SCHEMBL6156795 0.74 CMA1 (0.53) KMT2ALMNAGAADAOALDH1A1
SCHEMBL7325261 0.74 PDE4B (0.57) DBHKMT2AGAASIGMAR1ALDH1A1
SCHEMBL27629494 0.72 KDM4E (0.49) DBHKMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11613138 0.70 KMT2A (0.47) DBHKMT2ASMN1; SMN2LMNAHTT

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed