SCHEMBL20831011

SCHEMBL20831011

Cc1ccc(C(=O)OCc2ccccc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
KMT2A Q03164 3/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
LMNA P02545 3/20 0.58
MAPT P10636 7/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL20831009 0.88 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6693656 0.86 KMT2A (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL15315001 0.86 TDP1 (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL2984951 0.84 TDP1 (0.60) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL662221 0.84 LMNA (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL19840200 0.83 TDP1 (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL18427933 0.82 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL20831007 0.82 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL3497492 0.82 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL10323667 0.82 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA

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-3456713-A1 PROCESS FOR THE PREPARATION OF TRIAZINE DERIVATIVES Japan Tobacco Inc. (JP) 2019-03-20 EP disclosed