SCHEMBL7952188

SCHEMBL7952188

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 3/20 0.33
HSP90B1 P14625 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 7/20 0.32
RORC P51449 2/20 0.32
DHODH Q02127 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
SCHEMBL7952777 0.89 IDO1 (0.35) IDO1HSP90AA1HSP90B1TDP2RORC
SCHEMBL7967150 0.89 POLB (0.33) POLBNSD2DHODH
SCHEMBL8326689 0.88 DHODH (0.36) IDO1POLBRORCDHODH
SCHEMBL7953686 0.87 POLB (0.31) POLBDHODH
SCHEMBL7965862 0.87 IDO1 (0.35) IDO1POLBHSP90AA1HSP90B1KDM4E
SCHEMBL7963830 0.86 DHODH (0.36) IDO1POLBHSP90AA1KDM4ETDP2
SCHEMBL7961242 0.85 IDO1 (0.34) IDO1POLBHSP90AA1KDM4ETDP2
SCHEMBL7952832 0.83 HCRTR1 (0.34) IDO1HSP90AA1HSP90B1KDM4ETDP2
SCHEMBL7965769 0.80 CFTR (0.41) KDM4E
SCHEMBL7967474 0.79 HSP90AA1 (0.35) IDO1HSP90AA1HSP90B1TDP2DHODH

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