SCHEMBL5790163

SCHEMBL5790163

NC1C=CC=CC1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
KDM1A O60341 7/20 0.36
RCOR1 Q9UKL0 3/20 0.34
LOXL2 Q9Y4K0 2/20 0.32
IDO1 P14902 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP2A6 P11509 1/20 0.30
HTR2A P28223 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CALM1 P0DP23 1/20 0.30

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
SCHEMBL394270 0.80 MAOA (0.41) MAOAMAOBKDM1ARCOR1LOXL2
SCHEMBL20699480 0.75 SLC6A2 (0.34) MAOAMAOBKDM1ACYP3A4SMN1; SMN2
SCHEMBL30936701 0.75 MEN1 (0.34) MAOAMAOBKDM1ACYP3A4SMN1; SMN2
SCHEMBL3476384 0.73 HSD11B1 (0.33) MAOAMAOBKDM1ACYP3A4HSD11B1
SCHEMBL11877126 0.70 MMP9 (0.31) CYP3A4HSD11B1
SCHEMBL9137089 0.67 HSD11B1 (0.38) MAOAMAOBKDM1ACYP3A4HSD11B1
SCHEMBL2160193 0.66 HSD11B1 (0.41) CYP3A4HSD11B1SMN1; SMN2MEN1MAPT
SCHEMBL605319 0.66 MAOA (0.34) MAOAMAOBKDM1ALOXL2CYP3A4
SCHEMBL4304141 0.66 ALDH1A1 (0.35) MAOAMAOBKDM1ACYP3A4HSD11B1
SCHEMBL27740067 0.66 MAOA (0.33) MAOAMAOBKDM1ACYP3A4HSD11B1

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-2006012683-A1 CHEMICAL PROCESSES AND COMPOUNDS DERIVED THEREFROM MONASH UNIVERSITY (AU) 2006-02-09 WO disclosed