SCHEMBL14435647

SCHEMBL14435647

COC(C)(C)C(=O)/C=C/N(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.59
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.35
RECQL P46063 3/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2C19 P33261 4/20 0.32
CYP1A2 P05177 3/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C9 P11712 2/20 0.32
DNMT1 P26358 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL13449494 0.83 TDP1 (0.54) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL751103 0.83 TDP1 (0.54) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL751104 0.83 TDP1 (0.54) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL29156222 0.78 TDP1 (0.53) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL29156225 0.78 TDP1 (0.53) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL13221154 0.77 TDP1 (0.62) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL678566 0.77 TDP1 (0.62) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL6977513 0.77 TDP1 (0.62) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL24759814 0.75 TDP1 (0.50) TDP1MAPTALDH1A1HPGDLMNA
SCHEMBL17361336 0.75 TDP1 (0.50) TDP1MAPTALDH1A1HPGDLMNA

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
WO-2007096334-A1 PYRROLOPYRROLONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-08-30 WO disclosed