SCHEMBL14106331

SCHEMBL14106331

O=C1CSCN1CCc1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HPGD P15428 1/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 1/20 0.54
HTR2A P28223 2/20 0.53
HTR1A P08908 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR1D P28221 1/20 0.47

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
SCHEMBL10679736 0.77 RAB9A (0.92) RAB9ASMN1; SMN2HPGDMAPTMEN1
SCHEMBL5821824 0.76 RAB9A (0.62) RAB9ASMN1; SMN2HPGDMAPTMEN1
SCHEMBL733677 0.76 RAB9A (0.69) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17396888 0.75 RAB9A (0.71) RAB9ASMN1; SMN2HPGDMAPTMEN1
SCHEMBL540861 0.75 RAB9A (0.60) RAB9ASMN1; SMN2HPGDMAPTMEN1
SCHEMBL2825796 0.74 RAB9A (0.70) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10159091 0.74 RAB9A (0.66) RAB9ASMN1; SMN2HPGDMAPTMEN1
SCHEMBL735099 0.73 HTR2A (0.68) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27320852 0.73 RAB9A (0.64) RAB9ASMN1; SMN2HPGDMAPTMEN1
SCHEMBL6465788 0.72 HTR2A (0.88) RAB9ASMN1; SMN2HTR2AHTR1ACYP2D6

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-7405212-B2 Helix mimetics and composition and methods related thereto MYRIAD GENETICS, INC. (US) 2008-07-29 US disclosed