SCHEMBL15215440

SCHEMBL15215440

C[N+]1=C(/C=C/c2ccc(N(CC#N)CCC#N)cc2)C(C)(C)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
APP P05067 3/20 0.49
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 3/20 0.41
MMP14 P50281 1/20 0.41
ALDH1A1 P00352 4/20 0.40
THRB P10828 3/20 0.40
RECQL P46063 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
VDR P11473 5/20 0.40
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
S1PR4 O95977 2/20 0.35
POLB P06746 2/20 0.35
ALPG P10696 2/20 0.35
PKM P14618 2/20 0.35
S1PR1 P21453 2/20 0.35
NTSR1 P30989 2/20 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
SCHEMBL13236528 0.92 MAPT (0.55) MAPTAPPMEN1KMT2ALMNA
SCHEMBL6128371 0.87 MAPT (0.51) MAPTAPPMEN1KMT2ALMNA
SCHEMBL14612426 0.87 MAPT (0.51) MAPTAPPMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL29370641 0.86 MAPT (0.50) MAPTAPPMEN1KMT2ALMNA
SCHEMBL16253381 0.81 MAPT (0.68) MAPTAPPMEN1KMT2ALMNA
SCHEMBL8995923 0.81 MAPT (0.68) MAPTAPPMEN1KMT2ALMNA
SCHEMBL17320723 0.80 MAPT (0.55) MAPTAPPMEN1KMT2ALMNA
SCHEMBL13235724 0.80 MAPT (0.58) MAPTAPPMEN1KMT2ALMNA
Iodide SCHEMBL29249905 0.80 MAPT (0.70) MAPTAPPMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL14675272 0.80 MAPT (0.67) MAPTAPPMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9760060-B2 Photopolymer formulations for producing holographic media having highly crosslinked matrix polymers COVESTRO DEUTSCHLAND AG (DE) 2017-09-12 US disclosed
US-9146456-B2 Photopolymer formulation for producing holographic media having highly crosslinked matrix polymers BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-29 US disclosed
US-20130224634-A1 PHOTOPOLYMER FORMULATION FOR PRODUCING HOLOGRAPHIC MEDIA HAVING HIGHLY CROSSLINKED MATRIX POLYMERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed