SCHEMBL7965862

SCHEMBL7965862

COC(=O)c1c(Cl)c(-c2cccnc2Cl)n2c1C=CCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
HSP90AA1 P07900 5/20 0.35
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HSP90B1 P14625 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
DHODH Q02127 1/20 0.32
MAPK1 P28482 1/20 0.32
PPARG P37231 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
POLB P06746 2/20 0.32
HSP90AB1 P08238 1/20 0.32
HPGD P15428 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7963830 0.91 DHODH (0.36) IDO1HSP90AA1TDP2ALDH1A1KDM4E
SCHEMBL7967474 0.90 HSP90AA1 (0.35) IDO1HSP90AA1TDP2HSP90B1DHODH
SCHEMBL7961242 0.90 IDO1 (0.34) IDO1HSP90AA1TDP2KDM4EMEN1
SCHEMBL7952437 0.88 DHODH (0.34) TDP2ALDH1A1MAPTDHODHPOLB
SCHEMBL7952832 0.87 HCRTR1 (0.34) IDO1HSP90AA1TDP2ALDH1A1HSP90B1
SCHEMBL7952188 0.87 IDO1 (0.35) IDO1HSP90AA1TDP2HSP90B1KDM4E
SCHEMBL8328807 0.87 DHODH (0.39) IDO1KDM4EMAPTDHODHPOLB
SCHEMBL7965560 0.86 HPGD (0.32) ALDH1A1DHODHHPGDLMNASMN1; SMN2
SCHEMBL7961927 0.83 IDO1 (0.35) IDO1HSP90AA1TDP2ALDH1A1HSP90B1
SCHEMBL7964306 0.82 MAPT (0.32) MAPTDHODHPOLB

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