SCHEMBL7964216

SCHEMBL7964216

COc1c(C(N)=O)c2n(c1-c1cccnc1F)CCC=C2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.35
PLAU P00749 1/20 0.32
GSK3B P49841 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
DHODH Q02127 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
PARP1 P09874 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
SCHEMBL8329745 0.91 DHODH (0.38) GSK3BDHODH
SCHEMBL7963168 0.91 GSK3B (0.32) GSK3BDHODHPARP1
SCHEMBL7967142 0.90 IDO1 (0.34) GSK3BDHODH
SCHEMBL7964894 0.88 MAPT (0.32) SQORDHODHCSNK1DCSNK1E
SCHEMBL7963937 0.86 DHODH (0.37) SQORPLAUMKNK1MKNK2DHODH
SCHEMBL7967778 0.84 PLAU (0.33) PLAUMKNK1MKNK2DHODHPARP1
SCHEMBL7961614 0.82 PLAU (0.34) PLAUMKNK1MKNK2DHODHCSNK1D
SCHEMBL7963714 0.82 CYP11B2 (0.34) PLAUPARP1
SCHEMBL7965052 0.80 DHODH (0.36) GSK3BDHODH
SCHEMBL7967474 0.80 HSP90AA1 (0.35) GSK3BDHODH

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 6 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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed