SCHEMBL7963830

SCHEMBL7963830

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.36
IDO1 P14902 2/20 0.35
TDP2 O95551 1/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR2E3 Q9Y5X4 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
SCHEMBL7965862 0.91 IDO1 (0.35) DHODHIDO1TDP2MAPTKDM4E
SCHEMBL7961242 0.89 IDO1 (0.34) DHODHIDO1TDP2MAPTKDM4E
SCHEMBL8329410 0.88 DHODH (0.44) DHODHIDO1MAPTKDM4ENPC1
SCHEMBL7961833 0.88 DHODH (0.38) DHODHTDP2MAPTKDM4ENPC1
SCHEMBL7965052 0.88 DHODH (0.36) DHODHIDO1TDP2MAPTGAA
SCHEMBL7962627 0.87 DHODH (0.37) DHODHMAPTNPC1LMNACYP2C19
SCHEMBL7952188 0.86 IDO1 (0.35) DHODHIDO1TDP2KDM4EHSP90AA1
SCHEMBL7952832 0.86 HCRTR1 (0.34) IDO1TDP2MAPTGAAKDM4E
SCHEMBL8328157 0.81 DHODH (0.38) DHODHIDO1MAPTKDM4ELMNA
SCHEMBL7964306 0.81 MAPT (0.32) DHODHMAPTCYP2C19POLB

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