SCHEMBL17264124

SCHEMBL17264124

Nc1ccc(N2CCC(C3CCN(c4ccc(N)cc4Cl)CC3)CC2)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.75
HTT P42858 1/20 0.75
POLB P06746 2/20 0.68
MAPT P10636 8/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
GAA P10253 3/20 0.64
KDM4E B2RXH2 2/20 0.62
RAD52 P43351 1/20 0.62
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 3/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43
THRB P10828 2/20 0.43
KMT2A Q03164 2/20 0.43
NR4A1 P22736 1/20 0.43
PTK2B Q14289 1/20 0.43
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL25845407 0.93 ALDH1A1 (0.70) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL12074538 0.87 ALDH1A1 (0.73) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL15358686 0.86 ALDH1A1 (0.81) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL29990026 0.86 ALDH1A1 (1.00) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL76629 0.82 ALDH1A1 (0.96) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL25207044 0.82 ALDH1A1 (0.65) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL17450415 0.82 ALDH1A1 (0.68) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL20374357 0.82 ALDH1A1 (0.69) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL31053515 0.82 ALDH1A1 (0.65) ALDH1A1HTTPOLBMAPTSMN1; SMN2
SCHEMBL160768 0.81 ALDH1A1 (1.00) ALDH1A1HTTPOLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453164-B2 Liquid crystal alignment agent and uses thereof CHI MEI CORPORATION (TW) 2016-09-27 US disclosed
US-9453164-B2 Liquid crystal alignment agent and uses thereof CHI MEI CORPORATION (TW) 2016-09-27 US disclosed
US-20150329779-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF CHI MEI CORPORATION (TW) 2015-11-19 US disclosed
US-20150329779-A1 LIQUID CRYSTAL ALIGNMENT AGENT AND USES THEREOF CHI MEI CORPORATION (TW) 2015-11-19 US disclosed