SCHEMBL11482011

SCHEMBL11482011

NCCc1cccc(-c2cccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.59
LTA4H P09960 1/20 0.58
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR7 P34969 1/20 0.49
KCNH2 Q12809 1/20 0.47
FFAR1 O14842 1/20 0.47
TAAR1 Q96RJ0 8/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
HDAC1 Q13547 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL111078 0.86 LTA4H (0.72) PRMT6LTA4HHTR1DHTR1BKCNH2
SCHEMBL15244867 0.80 HTR7 (0.53) HTR7TAAR1DRD2DRD1HTR2C
SCHEMBL477487 0.79 PRMT6 (0.63) PRMT6LTA4HKCNH2FFAR1HDAC1
SCHEMBL7499623 0.79 PRMT6 (0.63) PRMT6LTA4HKCNH2FFAR1DRD2
SCHEMBL158066 0.79 PRMT6 (0.68) PRMT6LTA4HKCNH2FFAR1HDAC1
SCHEMBL4171352 0.79 PRMT6 (0.63) PRMT6LTA4HKCNH2FFAR1DRD2
SCHEMBL7076547 0.78 PRMT6 (0.57) PRMT6LTA4HFFAR1
SCHEMBL1334921 0.77 KCNH2 (0.59) PRMT6LTA4HKCNH2CYP17A1CYP11B1
SCHEMBL21408614 0.76 PRMT6 (0.64) PRMT6LTA4HHTR1DHTR1BHTR7
SCHEMBL6601600 0.76 PRMT6 (0.64) PRMT6LTA4HKCNH2FFAR1DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242474-A A POLYHYDROXY ACRYLIC ESTER REACTED WITH AN ISOCYANATE TERMINATED POLYOXYALKYLENE GLYCOL; BIOPOLYMERS TERUMO CORPORATION (JP) 1980-12-30 US disclosed