SCHEMBL4768475

SCHEMBL4768475

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1csc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
PIN1 Q13526 1/20 0.46
MAOB P27338 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTR7 P34969 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 3/20 0.44
NFKB1 P19838 3/20 0.44
HTT P42858 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL4765223 0.94 MEN1 (0.44) MEN1KMT2AMAPTUSP2PIN1
SCHEMBL4768583 0.82 TMPRSS2 (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4770555 0.80 NPC1 (0.51) MEN1KMT2AMAPTUSP2SMN1; SMN2
SCHEMBL4772757 0.80 HRH3 (0.52) MEN1KMT2AMAPTMAOBSMN1; SMN2
SCHEMBL4774483 0.79 SLC2A1 (0.52) MEN1KMT2AMAPTPIN1SMN1; SMN2
SCHEMBL4767370 0.78 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5823896 0.78 HRH3 (0.54) KMT2AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL4772451 0.78 TP53 (0.53) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL4768212 0.78 NPC1 (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4766059 0.77 KDM4E (0.50) MEN1KMT2AMAPTSMN1; SMN2HPGD

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-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed