SCHEMBL9033949

SCHEMBL9033949

O=C(Cl)Oc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
CNR2 P34972 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
PRNP P04156 1/20 0.40

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
SCHEMBL294784 0.83 MGAM (0.53) MGAMRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4266167 0.81 MAPT (0.49) MGAMRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31140011 0.81 MGAM (0.47) MGAMRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6945665 0.81 MGAM (0.47) MGAMRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2316635 0.81 MGAM (0.47) MGAMRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1462676 0.81 MGAM (0.43) MGAMRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL20504504 0.79 MGAM (0.44) MGAMRAB9ASMN1; SMN2CNR2HDAC8
SCHEMBL11031958 0.79 MGAM (0.44) MGAMRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL29403157 0.79 KMT2A (0.53) MGAMRAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7773905 0.79 KMT2A (0.53) MGAMRAB9ASMN1; SMN2NFKB1NFKB2

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-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed