SCHEMBL6323563

SCHEMBL6323563

COc1ccc(-c2noc(CCC(=O)NCCNc3n[nH]c(=O)c4ccccc34)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
HPGD P15428 4/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 2/20 0.55
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL6328474 0.95 GAA (0.57) TSHRHPGDMAPTGAASMN1; SMN2
SCHEMBL6332336 0.91 GAA (0.53) TSHRHPGDMAPTGAASMN1; SMN2
SCHEMBL6328207 0.91 GAA (0.53) TSHRHPGDMAPTGAASMN1; SMN2
SCHEMBL6326417 0.91 TSHR (0.60) TSHRHPGDMAPTSMN1; SMN2LMNA
SCHEMBL6323211 0.90 CYP1A2 (0.60) TSHRHPGDMAPTGAASMN1; SMN2
SCHEMBL6328510 0.90 HPGD (0.47) TSHRHPGDMAPTGAASMN1; SMN2
SCHEMBL6326570 0.89 TSHR (0.53) TSHRHPGDMAPTGAASMN1; SMN2
SCHEMBL6334127 0.89 CYP1A2 (0.52) TSHRHPGDMAPTGAASMN1; SMN2
SCHEMBL6324279 0.89 LMNA (0.53) TSHRHPGDMAPTGAASMN1; SMN2
SCHEMBL6324750 0.88 TSHR (0.57) TSHRHPGDMAPTGAASMN1; 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