SCHEMBL6328523

SCHEMBL6328523

O=C(CCCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)NCCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
TSHR P16473 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL6324590 0.98 GAA (0.44) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6330865 0.96 HPGD (0.49) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6330582 0.96 SMN1; SMN2 (0.44) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6332469 0.95 HPGD (0.49) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6328510 0.92 HPGD (0.47) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6332336 0.90 GAA (0.53) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6327212 0.90 HDAC1 (0.53) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6332518 0.89 HDAC1 (0.51) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6327919 0.89 HDAC1 (0.42) GAAHTTHPGDSMN1; SMN2TSHR
SCHEMBL6328158 0.89 HPGD (0.53) GAAHTTHPGDSMN1; SMN2TSHR

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-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed