SCHEMBL16265148

SCHEMBL16265148

BB(B)B(B(B)B)B(B(B(B)B)B(B)B)C1CCC(C2CCC(c3ccc(Oc4ccc(N)cc4N)cc3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL16265129 0.84 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL16265121 0.84 SCN5A (0.34) MEN1KMT2A
SCHEMBL17722779 0.82 MAPT (0.37) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL21756941 0.82 MAPT (0.45) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL10033588 0.81 SMN1; SMN2 (0.38) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL16265147 0.80 LMNA (0.36) ALDH1A1MAPTKMT2ASMN1; SMN2SLC6A2
SCHEMBL17720303 0.80 ESR2 (0.40) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL16265122 0.77 SCN5A (0.34) MEN1KMT2A
SCHEMBL10049050 0.76 ESR2 (0.44) KDM4EMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL12220514 0.76 ESR2 (0.42) KDM4EMEN1ALDH1A1CYP1A2CYP2D6

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
US-20150274969-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF CHI MEI CORPORATION (TW) 2015-10-01 US disclosed
US-20140350179-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2014-11-27 US disclosed