SCHEMBL8552658

SCHEMBL8552658

CCCCCCC1Cc2ccc(-c3ccc(C#N)cn3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM1A O60341 2/20 0.36
GRIA2 P42262 5/20 0.36
P2RX7 Q99572 1/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
NPC1 O15118 1/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8553264 0.83 CYP3A4 (0.38) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8556271 0.83 NPC1 (0.47) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8553142 0.82 RAB9A (0.55) KDM4EALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL8554728 0.82 DRD2 (0.46) TSHRHSD17B10GRM2CYP3A4CYP2C8
SCHEMBL8552877 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8556156 0.81 CYP3A4 (0.40) GRIA2MAPTCYP3A4CYP2C8S1PR3
SCHEMBL8552673 0.81 CYP3A4 (0.40) GRIA2MAPTCYP3A4CYP2C8S1PR3
SCHEMBL8555744 0.78 HPGDS (0.43) KDM4EALDH1A1HPGDKDM1AGRIA2
SCHEMBL8554697 0.78 NPC1 (0.40) GRIA2MAPTRAB9ANPC1STAT3
SCHEMBL10555887 0.78 KDM4E (0.59) KDM4EALDH1A1HPGDL3MBTL1HTT

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
EP-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed