SCHEMBL11526271

SCHEMBL11526271

CCCCCCCC(C)Nc1ccccc1NC(C)CCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
IDO1 P14902 1/20 0.42
CACNA2D1 P54289 2/20 0.39
CSNK1E P49674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR2 P34972 1/20 0.38
MLYCD O95822 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRB2 P07550 2/20 0.37
P2RX7 Q99572 1/20 0.37
CETP P11597 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
SCHEMBL11527742 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10597073 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11524920 0.98 IDO1 (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3395176 0.92 IDO1 (0.47) L3MBTL1IDO1CACNA2D1CNR2MAPK1
SCHEMBL11353940 0.89 KCNH3 (0.43) KMT2AL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL11351689 0.89 KCNH3 (0.43) KMT2AL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL11352149 0.89 KCNH3 (0.43) KMT2AL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL11346566 0.89 KCNH3 (0.43) KMT2AL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL28070127 0.88 KDM4E (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11342831 0.87 KCNH3 (0.44) KMT2AL3MBTL1KDM4EIDO1CACNA2D1

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-4140718-A Preparation of N,N'-dialkylphenylenediamines UOP INC. (US) 1979-02-20 US disclosed