SCHEMBL21578055

SCHEMBL21578055

S=C(S)N1CCCCC1C1CCCNC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL2484748 0.74 SLC6A1 (0.42) HTR2CMAPTKDM4ECYP2D6DPP4
SCHEMBL8564945 0.72 NR1H2 (0.41) ALDH1A1HPGDHSD17B10NPC1
SCHEMBL19355575 0.71 HTR2C (0.44) HTR2CHTR6MAPTKDM4ECYP2D6
SCHEMBL19343118 0.71 HTR2C (0.40) HTR2CHTR6ALDH1A1
SCHEMBL3932469 0.70 GAA (0.35) HTR2CHTR6HPGDCYP2D6DPP4
SCHEMBL6631735 0.69 ALDH1A1 (0.47) HTR2CHTR6ALDH1A1MAPTKDM4E
SCHEMBL6096270 0.69 ALDH1A1 (0.47) HTR2CHTR6ALDH1A1MAPTKDM4E
SCHEMBL13200304 0.68 HTR2C (0.37) HTR2CHTR6MAPTKDM4ECYP2D6
SCHEMBL31382277 0.67 HSD17B10 (0.42) ALDH1A1HSD17B10SMN1; SMN2LMNANPSR1
SCHEMBL4181535 0.67 HTR2C (0.34) HTR2CHTR6

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-11225605-B2 Polymerizable liquid crystal compound, method for producing polymerizable liquid crystal compound, polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, and image display device FUJIFILM CORPORATION (JP) 2022-01-18 US disclosed
US-20190352567-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, METHOD FOR PRODUCING POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC FILM, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2019-11-21 US disclosed