SCHEMBL11035510

SCHEMBL11035510

CCCCCc1ccc(-c2ccc(OCC)cc2)c(C#N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
PDE3A Q14432 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 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
SCHEMBL11033238 0.99 MAPT (0.46) MAPTL3MBTL1RAB9AHSD17B10TSHR
SCHEMBL11033414 0.99 MAPT (0.46) MAPTL3MBTL1RAB9AHSD17B10TSHR
SCHEMBL11035587 0.99 MAPT (0.46) MAPTL3MBTL1RAB9AHSD17B10TSHR
SCHEMBL11034105 0.99 MAPT (0.46) MAPTL3MBTL1RAB9AHSD17B10TSHR
SCHEMBL11032301 0.96 MAPT (0.42) MAPTL3MBTL1RAB9AHSD17B10TSHR
SCHEMBL11032702 0.93 ALDH1A1 (0.46) MAPTL3MBTL1RAB9AHSD17B10TSHR
SCHEMBL11031091 0.92 ALDH1A1 (0.48) MAPTL3MBTL1HSD17B10TSHRALDH1A1
SCHEMBL11032313 0.92 ALDH1A1 (0.48) MAPTL3MBTL1RAB9AHSD17B10TSHR
SCHEMBL11033373 0.91 ALDH1A1 (0.50) MAPTL3MBTL1HSD17B10TSHRALDH1A1
SCHEMBL11033942 0.91 ALDH1A1 (0.44) MAPTL3MBTL1RAB9AHSD17B10TSHR

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