SCHEMBL7963301

SCHEMBL7963301

COC(=O)c1c(C(F)(F)F)c(-c2cccnc2Cl)n2c1C(O)CCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.34
NSD2 O96028 4/20 0.34
IDO1 P14902 2/20 0.34
SCN9A Q15858 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
RBP4 P02753 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 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
SCHEMBL7965416 0.90 ABL1 (0.37) HCRTR1IDO1SCN9AMEN1KMT2A
SCHEMBL7952972 0.90 HCRTR1 (0.34) HCRTR1NSD2SCN9ACYP2C19POLB
SCHEMBL7961238 0.88 ALDH1A1 (0.32) HCRTR1NSD2CYP2C19POLBALDH1A1
SCHEMBL7962103 0.88 MEN1 (0.35) IDO1CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL7961108 0.87 DHODH (0.35) HCRTR1IDO1CYP2C19ALDH1A1MEN1
SCHEMBL7962570 0.86 CDK5 (0.34) IDO1CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL7963885 0.83 KCNMA1 (0.36) HCRTR1IDO1ALDH1A1MEN1KMT2A
SCHEMBL7963509 0.81 CFTR (0.40) HCRTR1ALDH1A1MEN1KMT2A
SCHEMBL7964731 0.80 FPR1 (0.35) IDO1ALDH1A1MEN1KMT2A
SCHEMBL7965403 0.79 HCRTR1 (0.34) HCRTR1SCN9A

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
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed