SCHEMBL7963937

SCHEMBL7963937

Cc1c(C(N)=O)c2n(c1-c1cccnc1F)CCC=C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
PLAU P00749 1/20 0.33
PARP1 P09874 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
NAPRT Q6XQN6 1/20 0.30
TGFBR1 P36897 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
SCHEMBL8328134 0.90 DHODH (0.44) DHODHPLAUNAPRT
SCHEMBL7967747 0.90 DHODH (0.38) DHODHPLAUPARP1NAPRT
SCHEMBL7965052 0.87 DHODH (0.36) DHODH
SCHEMBL7967778 0.87 PLAU (0.33) DHODHMKNK1MKNK2PLAUPARP1
SCHEMBL7962627 0.87 DHODH (0.37) DHODHMKNK1MKNK2CSNK1DCSNK1E
SCHEMBL7964216 0.86 SQOR (0.35) DHODHMKNK1MKNK2PLAUPARP1
SCHEMBL7961614 0.85 PLAU (0.34) DHODHMKNK1MKNK2PLAUPARP1
SCHEMBL7963714 0.84 CYP11B2 (0.34) PLAUPARP1
SCHEMBL7962199 0.80 DHODH (0.33) DHODHPARP1NAPRT
SCHEMBL8329857 0.79 DHODH (0.38) DHODHPLAUNAPRT

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