SCHEMBL29409648

SCHEMBL29409648

CCOC(=O)c1cnc2ccc(OC(F)(F)F)cc2c1Nc1ccccc1C#N

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.76
MAPT P10636 12/20 0.55
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.47
CLK1 P49759 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL22589451 1.00 TP53 (0.76) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL28708741 0.95 TP53 (0.70) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL8885467 0.89 TP53 (0.59) TP53MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL22366554 0.86 TP53 (1.00) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL30923536 0.86 TP53 (1.00) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL29409639 0.86 TP53 (1.00) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22602141 0.83 TP53 (0.79) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22601878 0.82 TP53 (0.73) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22601936 0.81 TP53 (0.72) TP53MAPTALDH1A1LMNAHPGD
SCHEMBL22589520 0.81 TP53 (0.71) TP53MAPTALDH1A1LMNAHPGD

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
EP-3959197-A1 PAPD5 INHIBITORS AND METHODS OF USE THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-03-02 EP disclosed