SCHEMBL7519748

SCHEMBL7519748

CC(=O)Nc1ccccc1Nc1nc(N)ncc1Sc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.54
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
BLM P54132 1/20 0.43
NOD2 Q9HC29 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
S100A4 P26447 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
AKR1B1 P15121 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PDE7A Q13946 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
SCHEMBL7518879 0.91 RXFP1 (0.45) RXFP1LMNAALDH1A1NPSR1BLM
SCHEMBL7516551 0.78 BCL6 (0.61) RXFP1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL7514733 0.77 RXFP1 (0.52) RXFP1LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL7519009 0.76 RXFP1 (0.49) RXFP1LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL7515653 0.76 RXFP1 (0.62) RXFP1LMNAALDH1A1NPSR1BLM
Hydrochloric Acid SCHEMBL7514046 0.74 RXFP1 (0.53) RXFP1LMNAALDH1A1NPSR1CYP3A4
SCHEMBL7519775 0.73 RXFP1 (0.62) RXFP1LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL7519746 0.72 RXFP1 (0.54) RXFP1LMNAALDH1A1NPSR1BLM
SCHEMBL7521450 0.71 RXFP1 (0.56) RXFP1LMNAALDH1A1NPSR1BLM
SCHEMBL7523775 0.70 RXFP1 (0.55) RXFP1LMNAALDH1A1NPSR1CYP3A4

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 claimed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO claimed