SCHEMBL27898705

SCHEMBL27898705

Cc1cc([CH]CBr)cc(C)c1OCCCO

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR1A P08908 3/20 0.35
TUBB1 Q9H4B7 1/20 0.35
SRC P12931 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL27916438 0.83 MAPT (0.35) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL378363 0.83 SRC (0.50) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL27916456 0.81 SRC (0.34) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL145729 0.78 SRC (0.49) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL25690903 0.76 HTR1A (0.53) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL27898732 0.75 SCN4A (0.39) ALDH1A1CYP1A2CYP2D6SRCTHRB
SCHEMBL147201 0.74 SRC (0.51) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL11703645 0.73 KDM4E (0.40) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL2999427 0.72 ALDH1A1 (0.39) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14380607 0.71 HTR1A (0.51) KDM4EALDH1A1MEN1KMT2ACYP1A2

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
CN-103038231-A Modulators of HEC1 activity and methods thereof TAIVEX THERAPEUTICS INC 2013-04-10 CN disclosed