SCHEMBL9764367

SCHEMBL9764367

CC(C)COc1ccccc1NNc1ccccc1OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.43
TLR8 Q9NR97 1/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 1/20 0.39
APP P05067 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.37
ELANE P08246 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
SCHEMBL22169090 0.91 SIRT2 (0.42) HTR2CTLR8GAAALDH1A1KMT2A
SCHEMBL21139494 0.91 HTR2C (0.40) HTR2CTLR8GAAALDH1A1KMT2A
SCHEMBL4334443 0.83 ALDH1A1 (0.55) HTR2CTLR8GAAALDH1A1KMT2A
SCHEMBL10788404 0.78 KDM4E (0.44) HTR2CTLR8GAAALDH1A1KMT2A
SCHEMBL1639715 0.77 GAA (0.59) GAAALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL5080663 0.75 ALOX15 (0.56) HTR2CTLR8GAAALDH1A1KMT2A
SCHEMBL8047112 0.75 KDM4E (0.61) HTR2CTLR8ALDH1A1KMT2AKDM4E
SCHEMBL1446334 0.75 LMNA (0.61) HTR2CGAAALDH1A1KMT2AKDM4E
SCHEMBL9193305 0.75 HTR2C (0.45) HTR2CTLR8GAAALDH1A1KMT2A
SCHEMBL13676821 0.74 KDM4E (0.48) GAAALDH1A1KMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987258-A Intermediates for disazo dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-22 US disclosed
EP-0196574-B1 4,4'-DIAMINODIPHENYL COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-10 EP disclosed
EP-0196574-A2 4,4'-Diaminodiphenyl compounds, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-08 EP disclosed