SCHEMBL7965052

SCHEMBL7965052

COC(=O)c1c(C)c(-c2cccnc2F)n2c1C=CCC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
IDO1 P14902 2/20 0.35
TDP2 O95551 1/20 0.35
CDC7 O00311 5/20 0.33
DBF4 Q9UBU7 5/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
BDKRB1 P46663 1/20 0.32
GSK3B P49841 1/20 0.32
ABL1 P00519 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7967474 0.89 HSP90AA1 (0.35) DHODHIDO1TDP2CDC7DBF4
SCHEMBL7967142 0.89 IDO1 (0.34) DHODHIDO1TDP2CDC7DBF4
SCHEMBL7967747 0.88 DHODH (0.38) DHODHTDP2
SCHEMBL8328134 0.88 DHODH (0.44) DHODHIDO1
SCHEMBL7963830 0.88 DHODH (0.36) DHODHIDO1TDP2KDM4ENPC1
SCHEMBL7963937 0.87 DHODH (0.37) DHODH
SCHEMBL7952777 0.87 IDO1 (0.35) DHODHIDO1TDP2CDC7DBF4
SCHEMBL7967763 0.86 HCRTR1 (0.35) IDO1TDP2CDC7DBF4KDM4E
SCHEMBL8329745 0.81 DHODH (0.38) DHODHIDO1GSK3B
SCHEMBL7963168 0.81 GSK3B (0.32) DHODHGSK3B

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