SCHEMBL11032301

SCHEMBL11032301

CCCCc1ccc(-c2ccc(OCC)cc2)c(C#N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 2/20 0.42
PDE3A Q14432 1/20 0.41
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 8/20 0.39
HSD17B10 Q99714 5/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39
SMAD3 P84022 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 6/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL11035510 0.96 MAPT (0.47) MAPTL3MBTL1RAB9APDE3AKDM4E
SCHEMBL11035587 0.95 MAPT (0.46) MAPTL3MBTL1RAB9APDE3AKDM4E
SCHEMBL11034105 0.95 MAPT (0.46) MAPTL3MBTL1RAB9APDE3AKDM4E
SCHEMBL11033238 0.95 MAPT (0.46) MAPTL3MBTL1RAB9APDE3AKDM4E
SCHEMBL11033414 0.95 MAPT (0.46) MAPTL3MBTL1RAB9APDE3AKDM4E
SCHEMBL11032794 0.93 MAPT (0.46) MAPTL3MBTL1RAB9AKDM4EALDH1A1
SCHEMBL11034014 0.92 PDE3A (0.43) MAPTL3MBTL1RAB9APDE3AKDM4E
SCHEMBL11031324 0.91 ALDH1A1 (0.48) MAPTL3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL11032326 0.91 MAPT (0.44) MAPTL3MBTL1RAB9AKDM4EALDH1A1
SCHEMBL11032728 0.90 ALDH1A1 (0.50) MAPTL3MBTL1KDM4EALDH1A1HSD17B10

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-4479885-A Phthalonitrile derivatives and a liquid crystal composition containing the same HITACHI, LTD. (JP) 1984-10-30 US disclosed
EP-0087963-A2 Phthalonitrile derivatives and liquid crystal compositions containing them Hitachi, Ltd. (JP) 1983-09-07 EP disclosed