SCHEMBL9911677

SCHEMBL9911677

c1cc2cc(C3OCO3)ccc2cc1C1OCO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
SLC6A4 P31645 10/20 0.34
SLC6A2 P23975 9/20 0.34
SLC6A3 Q01959 9/20 0.34
CYP2D6 P10635 7/20 0.34
KCNH2 Q12809 4/20 0.34
CYP3A4 P08684 2/20 0.34
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL13558693 0.82 KDM4E (0.45) KDM4ECYP3A4MEN1KMT2A
SCHEMBL9911674 0.81 CYP2C19 (0.44) CYP2D6CYP3A4MEN1CYP2C19KMT2A
SCHEMBL9809156 0.78 SLC6A4 (0.47) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL11410636 0.75 TAAR1 (0.43) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL11410727 0.75 HTR2A (0.42) SLC6A4SLC6A2SLC6A3KCNH2HTR2C
SCHEMBL5329930 0.74 KDM4E (0.53) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL14077386 0.74 CYP2A6 (0.43) KDM4ESLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL10452473 0.72 NPC1 (0.54) KDM4ESLC6A4SLC6A2SLC6A3MEN1
SCHEMBL1725362 0.70 MAPT (0.50) KDM4ECYP3A4MEN1CYP2C19KMT2A
SCHEMBL19221186 0.70 MAOA (0.48) SLC6A4SLC6A2SLC6A3DRD2HTR2C

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
US-20120142193-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 US disclosed