SCHEMBL7821187

SCHEMBL7821187

OC(=S)Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 4/20 0.55
GLA P06280 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 3/20 0.49
CYP2C9 P11712 1/20 0.49
PLAU P00749 1/20 0.49
AGBL2 Q5U5Z8 1/20 0.49
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL27716277 0.84 AGBL2 (0.69) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL30636549 0.80 TDP1 (0.55) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL16586047 0.80 TDP1 (0.55) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL1722652 0.80 TDP1 (0.58) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL14920934 0.79 CYP1A2 (0.58) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL3422410 0.79 HTT (0.57) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL31255154 0.78 TDP1 (0.59) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL3208283 0.78 TDP1 (0.59) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL784677 0.77 CYP1A2 (0.56) ALDH1A1KMT2AGLATDP1L3MBTL1
SCHEMBL784586 0.77 GLA (0.62) ALDH1A1KMT2AGLACYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed