SCHEMBL6555564

SCHEMBL6555564

SCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.54
SMN1; SMN2 Q16637 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.38
IDO1 P14902 1/20 0.38
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9106222 0.85 KIF11 (0.61) KIF11SMN1; SMN2CYP11B1CYP11B2KCNH2
SCHEMBL1149158 0.83 KIF11 (0.64) KIF11SMN1; SMN2CYP11B1CYP11B2KCNH2
SCHEMBL6404738 0.81 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL14127464 0.79 KIF11 (0.38) KIF11SMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL19730613 0.79 KIF11 (0.38) KIF11SMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL28291654 0.78 KIF11 (0.46) KIF11CYP11B1CYP11B2CYP2C9CYP2C19
SCHEMBL27656873 0.76 KIF11 (0.62) KIF11CYP11B1CYP11B2KCNH2CYP3A4
SCHEMBL14127642 0.75 TSHR (0.46) KIF11SMN1; SMN2KCNH2CYP2D6CYP2C9
SCHEMBL6035962 0.75 KIF11 (0.50) KIF11SMN1; SMN2CYP11B1CYP11B2KCNH2
SCHEMBL19126253 0.75 TAAR1 (0.54) SMN1; SMN2CYP3A4CYP2D6CYP2C19KCNN4

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
EP-1487762-A1 RADIOFLUORINATION METHODS Amersham plc (GB) 2004-12-22 EP disclosed
WO-2003080544-A1 RADIOFLUORINATION METHODS AMERSHAM PLC (GB) 2003-10-02 WO disclosed