SCHEMBL19998345

SCHEMBL19998345

Cc1cc(N)ccc1N1CCC(CCCC2CCN(c3ccc(N)cc3C)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
ALDH1A1 P00352 7/20 0.59
GAA P10253 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
THRB P10828 3/20 0.59
NR4A1 P22736 1/20 0.59
PTK2B Q14289 1/20 0.59
GFER P55789 3/20 0.56
RAD52 P43351 2/20 0.56
HTT P42858 2/20 0.48
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A3 P47895 2/20 0.36
ACHE P22303 2/20 0.35
HTR4 Q13639 1/20 0.35
YWHAG P61981 1/20 0.35

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
SCHEMBL22403756 0.88 ALDH1A1 (0.63) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3440300 0.86 MAPT (0.54) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL24207010 0.85 MAPT (0.59) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL28802517 0.85 MAPT (0.52) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL17264116 0.82 MAPT (0.69) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL29990141 0.81 ALDH1A1 (0.71) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL24865510 0.81 ALDH1A1 (0.71) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL3440382 0.80 MAPT (0.55) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL15358737 0.80 MAPT (0.81) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL188448 0.80 MAPT (0.65) MAPTALDH1A1GAAMEN1KMT2A

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
US-20180086978-A1 LIQUID CRYSTAL ELEMENT AND METHOD OF PRODUCING THE SAME JSR CORPORATION (JP) 2018-03-29 US disclosed