SCHEMBL3979694

SCHEMBL3979694

COCCCOc1cc(CBr)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
TTR P02766 1/20 0.36
CYP2C8 P10632 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1A P35348 1/20 0.36
PPARG P37231 1/20 0.36
HTR2B P41595 1/20 0.36
PPARA Q07869 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36

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
SCHEMBL3081718 0.83 SLC6A4 (0.50) MAPTTDP1KMT2AKDM4EL3MBTL1
SCHEMBL3080203 0.83 TSHR (0.44) TSHRMAPTTDP1KMT2AKDM4E
SCHEMBL3068255 0.83 TSHR (0.41) TSHRMAPTTDP1KMT2AKDM4E
SCHEMBL1039963 0.83 REN (0.48) MAPTTDP1L3MBTL1SMN1; SMN2REN
SCHEMBL3977294 0.82 L3MBTL1 (0.39) TDP1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL3977128 0.82 L3MBTL1 (0.43) MAPTTDP1KMT2AKDM4EL3MBTL1
SCHEMBL7954853 0.82 TAAR1 (0.42) TSHRTDP1ALDH1A1TTRLMNA
SCHEMBL4743467 0.81 L3MBTL1 (0.41) MAPTKDM4EL3MBTL1RENBIRC5
SCHEMBL3077526 0.81 BIRC5 (0.47) TSHRMAPTTDP1KMT2AL3MBTL1
SCHEMBL429553 0.79 KDM4E (0.50) TSHRMAPTTDP1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed