SCHEMBL21140171

SCHEMBL21140171

NC1CCCC=C1C1=CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TYMP P19971 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL12186815 0.88 MAPT (0.31)
SCHEMBL18467544 0.79
SCHEMBL13149690 0.79
SCHEMBL849235 0.71 KMT2A (0.41) HDAC1HDAC2TYMPTDP1
SCHEMBL4622927 0.71 HDAC1 (0.36) KDM1AHDAC1HDAC2
SCHEMBL38654652 0.71 HDAC1 (0.36) KDM1AHDAC1HDAC2
SCHEMBL4622930 0.71 HDAC1 (0.36) KDM1AHDAC1HDAC2
SCHEMBL296554 0.69 TYMP (0.42) KDM1AJAK2JAK1JAK3HDAC2
SCHEMBL11201526 0.67 TYMP (0.41) KDM1AJAK2JAK1JAK3HDAC2
SCHEMBL21057468 0.67 TYMP (0.41) KDM1AJAK2JAK1JAK3HDAC2

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
EP-3502107-A1 1-AMINODIBENZOFURAN-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-06-26 EP disclosed