SCHEMBL7514495

SCHEMBL7514495

Nc1ncc(Sc2ccc(Cl)cc2)c(NCC2(O)CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
LATS1 O95835 1/20 0.38
LATS2 Q9NRM7 1/20 0.38
DHFR P00374 1/20 0.36
P2RX7 Q99572 1/20 0.35
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
PTPN11 Q06124 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 1/20 0.33
ALOX5AP P20292 1/20 0.33
CYP2D6 P10635 2/20 0.32
BCL6 P41182 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7518173 0.95 RXFP1 (0.51) RXFP1LATS1LATS2DHFREGFR
SCHEMBL7521450 0.79 RXFP1 (0.56) RXFP1DHFREGFRTYMSSMN1; SMN2
SCHEMBL7510622 0.78 RXFP1 (0.54) RXFP1DHFREGFRTYMSSMN1; SMN2
SCHEMBL1375573 0.78 SCN9A (0.37) LATS1LATS2P2RX7SMN1; SMN2CYP2C9
SCHEMBL1377846 0.77 SCN9A (0.38) LATS1LATS2DHFRP2RX7SMN1; SMN2
SCHEMBL7515653 0.77 RXFP1 (0.62) RXFP1DHFREGFRTYMSSMN1; SMN2
SCHEMBL1376021 0.76 SCN9A (0.36) LATS1LATS2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL7512211 0.75 RXFP1 (0.51) RXFP1DHFREGFRTYMSSMN1; SMN2
SCHEMBL7507963 0.75 RXFP1 (0.51) RXFP1DHFREGFRTYMSSMN1; SMN2
SCHEMBL7515045 0.75 RXFP1 (0.51) RXFP1DHFREGFRTYMSSMN1; SMN2

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