SCHEMBL9123738

SCHEMBL9123738

Fc1ccccc1NC(=S)Nc1ncccc1OCc1c(F)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIF P30405 1/20 0.55
SGMS2 Q8NHU3 1/20 0.50
PPIA P62937 2/20 0.48
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 1/20 0.45
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
MIF P14174 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL9126359 0.89 SGMS2 (0.55) PPIFSGMS2PPIAALDH1A1KMT2A
SCHEMBL9126321 0.87 SGMS2 (0.50) PPIFSGMS2PPIAALDH1A1KMT2A
SCHEMBL9129421 0.87 PPIF (0.55) PPIFSGMS2PPIAALDH1A1KMT2A
SCHEMBL9124294 0.86 PPIA (0.50) PPIFSGMS2PPIAALDH1A1KMT2A
SCHEMBL9126856 0.85 SMN1; SMN2 (0.49) PPIFSGMS2PPIAALDH1A1KMT2A
SCHEMBL9125275 0.85 PPIF (0.49) PPIFSGMS2PPIAALDH1A1KMT2A
SCHEMBL9126866 0.81 PPIA (0.52) SGMS2PPIAALDH1A1KMT2ALMNA
SCHEMBL9124509 0.81 PPIA (0.53) PPIFSGMS2PPIAALDH1A1KMT2A
SCHEMBL9125551 0.81 PPIA (0.53) PPIFSGMS2PPIAALDH1A1KMT2A
SCHEMBL9126729 0.79 SGMS2 (0.55) PPIFSGMS2PPIATDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed