SCHEMBL7995327

SCHEMBL7995327

C1=C(Cc2cccnc2)NCC(OCc2ccccc2)=C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MAPK1 P28482 2/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP19A1 P11511 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
IKBKB O14920 1/20 0.38
RAB9A P51151 1/20 0.37
PLA2G7 Q13093 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37

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
SCHEMBL7998680 0.86 HTT (0.48) HTTCYP11B1CYP11B2ALDH1A1POLB
SCHEMBL7992008 0.80 HTT (0.47) HTTHTR1ADRD2ALDH1A1KMT2A
SCHEMBL7998683 0.77 HTT (0.53) HTTHTR1ADRD2HRH3LMNA
SCHEMBL7981094 0.75 HTT (0.45) HTTKMT2AMEN1LMNATDP1
SCHEMBL7995324 0.71 HTT (0.55) HTTMAPK1POLBLMNATDP1
SCHEMBL7995311 0.71 CALM1 (0.44) HTT
SCHEMBL29995759 0.67 CYP11B1 (0.65) CYP11B1CYP11B2HRH4HRH3
SCHEMBL177863 0.67 CYP11B1 (0.65) CYP11B1CYP11B2HRH4HRH3
SCHEMBL7311175 0.67 MAPK1 (0.65) MAPK1HTR1ADRD2KMT2AMEN1
SCHEMBL1323646 0.67 RAB9A (0.62) MAPK1HTR1ADRD2ALDH1A1POLB

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
WO-2001009129-A2 1H-PIRIDO[3, 4-B]INDOL-1-ONE DERIVATIVES NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed