SCHEMBL7516441

SCHEMBL7516441

CONc1nc(N)ncc1Sc1ccc(Cl)cc1.Nc1ncc(Sc2ccc(Cl)cc2)c(NOCCO)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.36
TYMS P04818 1/20 0.36
DHFR P00374 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33

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
SCHEMBL7512187 0.94 RXFP1 (0.52) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL7519775 0.89 RXFP1 (0.62) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL7521450 0.77 RXFP1 (0.56) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL7510886 0.77 RXFP1 (0.55) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL7515653 0.75 RXFP1 (0.62) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL7512196 0.74 RXFP1 (0.55) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL7523775 0.74 RXFP1 (0.55) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL7516524 0.74 RXFP1 (0.54) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL7507963 0.73 RXFP1 (0.51) RXFP1KDM4EMAPTALDH1A1HPGD
SCHEMBL5204086 0.73 SCN9A (0.39) KDM4EMAPTALDH1A1HPGDLMNA

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