SCHEMBL21297534

SCHEMBL21297534

CCCCCCc1cnc(CCCCCC)c2nonc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TYR P14679 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL19629927 0.77 CHRM1 (0.40) TBXAS1TDP1L3MBTL1LIPGMEN1
SCHEMBL18386357 0.77 CHRM1 (0.40) TBXAS1TDP1L3MBTL1LIPGMEN1
SCHEMBL18531246 0.76 CHRM1 (0.39) TDP1L3MBTL1LIPGMEN1MAPT
SCHEMBL21297541 0.76 CHRM1 (0.39) TDP1L3MBTL1LIPGMEN1MAPT
SCHEMBL7160283 0.70 MEN1 (0.38) TBXAS1PPARATDP1L3MBTL1MEN1
SCHEMBL19116416 0.68 ALOX5 (0.36) TDP1MEN1MAPTKMT2ATYR
SCHEMBL28236618 0.67 DHFR (0.47) —
SCHEMBL27769289 0.67 ALOX5 (0.41) TBXAS1TDP1LIPGMEN1MAPT
SCHEMBL4941629 0.66 TDP1 (0.37) PPARATDP1L3MBTL1LIPGMEN1
SCHEMBL28320448 0.66 TLR8 (0.46) TDP1L3MBTL1LIPGMEN1KMT2A

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-10396286-B2 Regioregular pyridal[2,1,3]thiadiazole π-conjugated copolymers for organic semiconductors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-08-27 — — US disclosed
Send feedback