SCHEMBL11089926

SCHEMBL11089926

Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
MAOB P27338 9/20 0.56
APP P05067 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 1/20 0.55
MAOA P21397 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.53
S1PR1 P21453 1/20 0.51
HTR2A P28223 1/20 0.51
KCNH2 Q12809 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
S1PR5 Q9H228 1/20 0.51
PTPN1 P18031 1/20 0.50

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
SCHEMBL11118881 0.85 MRGPRX4 (0.59) IDO1MAOBCYP2D6MAOANPC1
SCHEMBL26128487 0.85 MAOB (0.60) MAOBAPPMAPTRAB9AGAA
SCHEMBL5512534 0.84 IDO1 (0.53) IDO1MAOBCYP2D6MAOANPC1
SCHEMBL1508212 0.82 APP (0.56) IDO1MAOBAPPCYP2D6MAOA
SCHEMBL508773 0.82 S1PR1 (0.55) IDO1MAOBCYP2D6MAOANPC1
SCHEMBL6745212 0.82 IDO1 (0.52) IDO1MAOBCYP2D6MAOANPC1
SCHEMBL508222 0.82 IDO1 (0.52) IDO1MAOBCYP2D6MAOANPC1
SCHEMBL12584867 0.82 MAOB (0.54) IDO1MAOBCYP2D6MAOAS1PR1
SCHEMBL4796227 0.81 NPC1 (0.60) IDO1MAOBAPPCYP2D6MAPT
SCHEMBL11087733 0.81 MAOB (0.63) IDO1MAOBAPPCYP2D6MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113922-A2 Process for the manufacture of cationic methine dyes BAYER AG (DE) 1984-07-25 EP disclosed
EP-0113921-A2 Process for the manufacture of stable solutions of cationic methine dyes BAYER AG (DE) 1984-07-25 EP disclosed
EP-0113920-A2 Process for the manufacture of stable solutions of cationic methine dyes, and their use in spin dyeing BAYER AG (DE) 1984-07-25 EP disclosed
US-4123256-A HERBICIDES USED IN CULTIVATION OF SOYBEANS, KIDNEY BEANS, PEANUTS, COTTON OR RICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-10-31 US disclosed