SCHEMBL7962686

SCHEMBL7962686

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.32
PLAU P00749 1/20 0.31
PARP1 P09874 1/20 0.31
SMO Q99835 1/20 0.30
TDP2 O95551 1/20 0.30
HCRTR1 O43613 1/20 0.30
SLC6A7 Q99884 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
SCHEMBL8325506 0.91 DHODH (0.36) DHODHPLAUSMOSLC6A7
SCHEMBL7961614 0.90 PLAU (0.34) DHODHPLAUPARP1SLC6A7
SCHEMBL7952777 0.89 IDO1 (0.35) DHODHSMOTDP2HCRTR1
SCHEMBL7967150 0.89 POLB (0.33) DHODH
SCHEMBL7967747 0.86 DHODH (0.38) DHODHPLAUPARP1TDP2
SCHEMBL7962199 0.85 DHODH (0.33) DHODHPARP1
SCHEMBL7963168 0.83 GSK3B (0.32) DHODHPARP1
SCHEMBL7952345 0.82 CYP11B2 (0.34) DHODHPARP1
SCHEMBL7967982 0.80 CYP11B2 (0.37)
SCHEMBL8328134 0.80 DHODH (0.44) DHODHPLAU

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