SCHEMBL6326482

SCHEMBL6326482

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
LMNA P02545 4/20 0.43
GAA P10253 3/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.40
XBP1 P17861 1/20 0.40

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 0.90 HPGD (0.49) HPGDLMNAGAAHTTTSHR
SCHEMBL6333338 0.90 LMNA (0.48) HPGDLMNAGAAHTTTSHR
SCHEMBL6330865 0.89 HPGD (0.49) HPGDLMNAGAAHTTTSHR
SCHEMBL6330590 0.88 TSHR (0.46) HPGDLMNAGAAHTTTSHR
SCHEMBL6324590 0.87 GAA (0.44) HPGDLMNAGAAHTTTSHR
SCHEMBL6328510 0.86 HPGD (0.47) HPGDLMNAGAAHTTTSHR
SCHEMBL6328523 0.85 GAA (0.44) HPGDLMNAGAAHTTTSHR
SCHEMBL6331270 0.83 HPGD (0.47) HPGDLMNAGAAHTTTSHR
SCHEMBL6330582 0.83 SMN1; SMN2 (0.44) HPGDLMNAGAAHTTTSHR
SCHEMBL6327952 0.81 KMT2A (0.40) HPGDLMNAGAAHTTTSHR

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