SCHEMBL2835472

SCHEMBL2835472

CCN(CC)c1cccc2c1OCC2C(=O)C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 2/20 0.40
TLR9 Q9NR96 2/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
HPGD P15428 1/20 0.39
CNR2 P34972 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPK1 P28482 2/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL2831495 0.93 HPGD (0.35) NPC1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2836351 0.93 ALDH1A1 (0.47) NPC1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2834422 0.91 ACHE (0.45) NPC1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2835670 0.85 MEN1 (0.40) NPC1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2834091 0.84 HDAC3 (0.43) NPC1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2835552 0.76 HTR1A (0.36) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL2830167 0.75 MEN1 (0.35) MEN1KMT2ARAB9AACHEUSP2
SCHEMBL2838798 0.70 GAA (0.40) MEN1MAPTKMT2ARAB9AALDH1A1
SCHEMBL2835606 0.68 MAPT (0.41) NPC1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11691172 0.67 MAPT (0.73) NPC1MEN1MAPTKMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192898-B2 Composition for fluorine-containing volume holographic data recording material and fluorine-containing volume holographic data recording media made of same DAIKIN INDUSTRIES, LTD. (JP) 2012-06-05 US disclosed
US-20100112460-A1 COMPOSITION FOR FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MATERIAL AND FLUORINE-CONTAINING VOLUME HOLOGRAPHIC DATA RECORDING MEDIA MADE OF SAME UMEDA CENTER BUILDING (JP) 2010-05-06 US disclosed