SCHEMBL6330576

SCHEMBL6330576

O=C(CCc1nc(-c2ccc(OC(F)F)cc2)no1)NCCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
HPGD P15428 4/20 0.49
HTT P42858 4/20 0.48
TSHR P16473 7/20 0.46
SMN1; SMN2 Q16637 5/20 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
LMNA P02545 5/20 0.45
ALDH1A1 P00352 4/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.42
ALOX15 P16050 1/20 0.42
USP2 O75604 1/20 0.41
MAPK1 P28482 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
SCHEMBL6327284 0.92 GAA (0.55) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6333023 0.89 GAA (0.49) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6332469 0.89 HPGD (0.49) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6326111 0.89 TSHR (0.51) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6327904 0.89 HPGD (0.59) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6328519 0.88 TP53 (0.52) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6328474 0.88 GAA (0.57) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6328284 0.88 HPGD (0.52) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6331270 0.88 HPGD (0.47) GAAHPGDHTTTSHRSMN1; SMN2
SCHEMBL6330865 0.88 HPGD (0.49) GAAHPGDHTTTSHRSMN1; 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