SCHEMBL27708293

SCHEMBL27708293

C[CH]c1scc(Br)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
TYMP P19971 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8437240 0.73 ALDH1A1 (0.41) MAPK1ALDH1A1MAPTLMNAHTT
SCHEMBL22299324 0.71 ALDH1A1 (0.39) MAPK1ALDH1A1MAPTLMNAHTT
SCHEMBL2984229 0.67 MAPT (0.42) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL12912881 0.64 ALDH1A1 (0.37) MAPK1ALDH1A1MAPTLMNAHTT
SCHEMBL13319607 0.64 ALDH1A1 (0.50) MAPK1ALDH1A1MAPTLMNAHTT
SCHEMBL8973903 0.62 ALDH1A1 (0.55) MAPK1ALDH1A1MAPTLMNAHTT
SCHEMBL9489536 0.61 NPC1 (0.47) MAPK1ALDH1A1MAPTCYP2A6CYP2B6
SCHEMBL10568574 0.61 PTGS1 (0.49) MAPK1ALDH1A1MAPTLMNAHTT
Biphenyl SCHEMBL664141 0.61 ALDH1A1 (0.60) MAPK1ALDH1A1MAPTLMNAHTT
SCHEMBL2168449 0.61 ALDH1A1 (0.50) MAPK1ALDH1A1MAPTLMNAHTT

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-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN disclosed
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN disclosed