SCHEMBL6328510

SCHEMBL6328510

O=C(CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)NCCNc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
GAA P10253 4/20 0.47
TSHR P16473 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 3/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.43
XBP1 P17861 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
S1PR1 P21453 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 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 0.95 HPGD (0.49) HPGDGAATSHRSMN1; SMN2CYP1A2
SCHEMBL6330582 0.95 SMN1; SMN2 (0.44) HPGDGAATSHRSMN1; SMN2CYP1A2
SCHEMBL6330865 0.95 HPGD (0.49) HPGDGAATSHRSMN1; SMN2CYP1A2
SCHEMBL6328523 0.92 GAA (0.44) HPGDGAATSHRSMN1; SMN2CYP1A2
SCHEMBL6324590 0.92 GAA (0.44) HPGDGAATSHRSMN1; SMN2CYP1A2
SCHEMBL6334322 0.90 CYP1A2 (0.49) HPGDGAATSHRSMN1; SMN2CYP1A2
SCHEMBL6323563 0.90 TSHR (0.57) HPGDGAATSHRSMN1; SMN2HTT
SCHEMBL6326614 0.89 SMN1; SMN2 (0.43) HPGDGAATSHRSMN1; SMN2CYP1A2
SCHEMBL6334127 0.88 CYP1A2 (0.52) HPGDGAATSHRSMN1; SMN2CYP1A2
SCHEMBL6323211 0.88 CYP1A2 (0.60) HPGDGAATSHRSMN1; SMN2CYP1A2

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