SCHEMBL7952345

SCHEMBL7952345

CC(=O)c1c(C#N)c(-c2cccnc2F)n2c1C=CCC2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.34
DHODH Q02127 1/20 0.31
PARP1 P09874 2/20 0.31
CYP11B1 P15538 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL8327467 0.91 DHODH (0.36) CYP11B2DHODHPARP1CYP11B1PDE4B
SCHEMBL7963714 0.90 CYP11B2 (0.34) CYP11B2PARP1CYP11B1
SCHEMBL7967763 0.89 HCRTR1 (0.35) CYP11B2
SCHEMBL7963785 0.88 KDM4E (0.32) DHODH
SCHEMBL7967747 0.85 DHODH (0.38) DHODHPARP1
SCHEMBL7967472 0.85 CYP11B2 (0.39) CYP11B2PARP1CYP11B1
SCHEMBL7962199 0.84 DHODH (0.33) CYP11B2DHODHPARP1PDE4B
SCHEMBL7962686 0.82 DHODH (0.32) DHODHPARP1
SCHEMBL7963168 0.82 GSK3B (0.32) DHODHPARP1
SCHEMBL7961423 0.82 CYP11B2 (0.37) CYP11B2PARP1CYP11B1

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 4 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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO 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