SCHEMBL27935890

SCHEMBL27935890

CC(Nc1ccccc1Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ASPH Q12797 1/20 0.42
▸ RIOX2 Q8IUF8 1/20 0.42
▸ KDM8 Q8N371 1/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18027646 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4CGAA
SCHEMBL9908238 0.79 TDP1 (0.46) MEN1KMT2AALDH1A1GAATDP1
SCHEMBL30721686 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4CGAA
SCHEMBL19915078 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4CGAA
SCHEMBL6542646 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4CGAA
SCHEMBL29071459 0.76 KCNQ2 (0.49) MEN1KMT2AALDH1A1KDM4CGAA
SCHEMBL9128021 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4CGAA
SCHEMBL8353923 0.76 HDAC3 (0.54) MEN1KMT2AALDH1A1KDM4CGAA
SCHEMBL15722551 0.76 HDAC3 (0.54) MEN1KMT2AALDH1A1KDM4CGAA
SCHEMBL10388731 0.76 KCNQ2 (0.49) MEN1KMT2AALDH1A1KDM4CGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103553859-B A kind of method being prepared aminated compounds intermediate by acid amides DU YEHONG (CN) 2015-09-16 — — CN disclosed
CN-103553859-A Method for preparing amine compound midbody by utilizing amide ZHU YEHONG 2014-02-05 — — CN disclosed
Send feedback