SCHEMBL7963785

SCHEMBL7963785

CC(=O)c1c(C#N)c(-c2cccnc2Cl)n2c1C=CCC2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL8329854 0.91 DHODH (0.36) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL7967502 0.90 GAA (0.32) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL7952832 0.89 HCRTR1 (0.34) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL7952345 0.88 CYP11B2 (0.34) DHODH
SCHEMBL7952437 0.86 DHODH (0.34) ALDH1A1MAPTDHODH
SCHEMBL7961833 0.85 DHODH (0.38) KDM4EALDH1A1MAPTRAB9ADHODH
SCHEMBL7964888 0.85 CYP11B2 (0.32) KDM4EALDH1A1MAPTRAB9A
SCHEMBL7964306 0.82 MAPT (0.32) MAPTDHODH
SCHEMBL7965413 0.82 NPC1 (0.32) KDM4EALDH1A1RAB9A
SCHEMBL7967150 0.82 POLB (0.33) DHODH

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