SCHEMBL7514733

SCHEMBL7514733

CC(=O)Oc1ccc(Nc2nc(N)ncc2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPK8 P45983 1/20 0.41
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCL6 P41182 1/20 0.40
KCNH2 Q12809 2/20 0.39
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7519009 0.97 RXFP1 (0.49) RXFP1MAPTALDH1A1HSP90AA1GAA
SCHEMBL5203892 0.82 SCN9A (0.46) MAPTALDH1A1HSP90AA1GAAMAPK8
Hydrochloric Acid SCHEMBL7514046 0.81 RXFP1 (0.53) RXFP1MAPTALDH1A1GAANR1I2
SCHEMBL7516551 0.81 BCL6 (0.61) RXFP1ALDH1A1NR1I2AHRBCL6
SCHEMBL7519748 0.77 RXFP1 (0.54) RXFP1MAPTALDH1A1MEN1KMT2A
SCHEMBL7515653 0.74 RXFP1 (0.62) RXFP1MAPTALDH1A1MEN1KMT2A
SCHEMBL7519775 0.74 RXFP1 (0.62) RXFP1MAPTALDH1A1GAAMEN1
SCHEMBL7513830 0.73 RXFP1 (0.49) RXFP1MAPTALDH1A1MAPK8KDM4E
SCHEMBL7513791 0.73 ABCG2 (0.46) RXFP1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7518879 0.69 RXFP1 (0.45) RXFP1MAPTALDH1A1MEN1KMT2A

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-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP disclosed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO disclosed