SCHEMBL6976811

SCHEMBL6976811

OCCCC1=NC(c2ccccc2)CS1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.35
ALPI P09923 1/20 0.35
ADRA2B P18089 1/20 0.35
DRD1 P21728 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC3 O15379 1/20 0.34
NCOR1 O75376 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
BLM P54132 1/20 0.34
NPY1R P25929 1/20 0.34

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
SCHEMBL6973667 0.84 HDAC3 (0.37) ALPLALPIADRA2BDRD1KCNH2
SCHEMBL6975809 0.83 ALPL (0.38) ALPLALPIADRA2BDRD1KCNH2
SCHEMBL6972859 0.77 TAAR1 (0.40) ALPLALPIADRA2BDRD1KCNH2
SCHEMBL6976388 0.76 KDM4E (0.34) TSHRHDAC3NCOR1HDAC2HDAC8
SCHEMBL6976343 0.73 ALPL (0.36) ALPLALPIADRA2BDRD1KCNH2
SCHEMBL6977066 0.71 HDAC3 (0.46) HDAC3NCOR1HDAC2HDAC8ALDH1A1
SCHEMBL6912342 0.67 CYP1A2 (0.41) ALPLALPIADRA2BDRD1KCNH2
SCHEMBL10938930 0.67 CYP1A2 (0.41) ALPLALPIADRA2BDRD1KCNH2
SCHEMBL6973024 0.67 CYP1A2 (0.41) ALPLALPIADRA2BDRD1KCNH2
SCHEMBL6254235 0.67 TAAR1 (0.47) ALPLALPIADRA2BDRD1KCNH2

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
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed