SCHEMBL6330865

SCHEMBL6330865

O=C(CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)NCCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
GAA P10253 3/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.42
XBP1 P17861 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6332469 0.98 HPGD (0.49) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6328523 0.96 GAA (0.44) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6328510 0.95 HPGD (0.47) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6324590 0.95 GAA (0.44) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6330582 0.92 SMN1; SMN2 (0.44) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6328474 0.90 GAA (0.57) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6325569 0.90 HDAC1 (0.49) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6331270 0.89 HPGD (0.47) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6326482 0.89 HPGD (0.44) HPGDGAAHTTTSHRSMN1; SMN2
SCHEMBL6326412 0.89 TSHR (0.51) HPGDGAAHTTTSHRSMN1; SMN2

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