SCHEMBL6286393

SCHEMBL6286393

c1ccc2c(OCCc3cscn3)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 11/20 0.51
KCNA3 P22001 1/20 0.49
HTR1D P28221 3/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC6A4 P31645 2/20 0.47
HRH1 P35367 1/20 0.47
GPR84 Q9NQS5 1/20 0.46

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
SCHEMBL5289923 0.75 HTR1B (0.77) HTR1BKCNA3HTR1DKMT2AMEN1
SCHEMBL7972597 0.73 HTR1B (0.51) HTR1BKCNA3HTR1DKMT2AMEN1
SCHEMBL2177350 0.73 HTR1B (0.78) HTR1BKCNA3HTR1DKMT2ATDP1
SCHEMBL9770352 0.73 KCNA3 (0.81) HTR1BKCNA3HTR1DKMT2AMEN1
SCHEMBL8981682 0.73 KMT2A (0.69) HTR1BKCNA3HTR1DKMT2AALDH1A1
SCHEMBL2116954 0.72 HTR1B (0.70) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL30209610 0.72 HTR1B (0.70) HTR1BKCNA3HTR1DSLC6A4HRH1
SCHEMBL16902853 0.71 KCNA3 (0.79) HTR1BKCNA3HTR1DKMT2AMEN1
SCHEMBL16902854 0.71 KCNA3 (0.79) HTR1BKCNA3HTR1DKMT2AMEN1
SCHEMBL16902840 0.71 KCNA3 (0.79) HTR1BKCNA3HTR1DKMT2AMEN1

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-6951918-B2 Peptidic procollagen C-proteinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-10-04 US disclosed
US-6426402-B1 RESPIRATORY SYSTEM DISORDERS; RHEUMATIC DISEASES SYNTEX (U.S.A.) LLC 2002-07-30 US disclosed