SCHEMBL6333338

SCHEMBL6333338

O=C(CCc1nc(-c2ccc(F)cc2)no1)NCCCNc1n[nH]c(=O)c2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
TSHR P16473 3/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
GAA P10253 2/20 0.44
CNR2 P34972 4/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL6330590 0.92 TSHR (0.46) LMNATSHRUSP2SMN1; SMN2POLB
SCHEMBL6328444 0.90 LMNA (0.51) LMNATSHRUSP2SMN1; SMN2KDM4E
SCHEMBL6326482 0.90 HPGD (0.44) LMNATSHRSMN1; SMN2KDM4EPOLB
SCHEMBL6326111 0.90 TSHR (0.51) LMNATSHRUSP2SMN1; SMN2KDM4E
SCHEMBL6326412 0.88 TSHR (0.51) LMNATSHRUSP2SMN1; SMN2KDM4E
SCHEMBL6325850 0.85 HDAC1 (0.51) LMNATSHRUSP2SMN1; SMN2KDM4E
SCHEMBL6327952 0.85 KMT2A (0.40) LMNATSHRUSP2SMN1; SMN2POLB
SCHEMBL6334127 0.84 CYP1A2 (0.52) LMNATSHRUSP2SMN1; SMN2KDM4E
SCHEMBL6334607 0.84 ALDH1A1 (0.49) LMNATSHRUSP2SMN1; SMN2HPGD
SCHEMBL6332518 0.84 HDAC1 (0.51) LMNATSHRUSP2SMN1; SMN2KDM4E

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