SCHEMBL7962693

SCHEMBL7962693

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
PTGS2 P35354 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC18A3 Q16572 1/20 0.32
ABL1 P00519 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
EGFR P00533 1/20 0.31
PLAU P00749 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA6 Q15825 1/20 0.31
PARP1 P09874 1/20 0.31
TDP2 O95551 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
SCHEMBL8330824 0.92 DHODH (0.43) DHODHPTGS2HCRTR1HCRTR2KDM4E
SCHEMBL7953432 0.91 MKNK1 (0.37) DHODHPTGS2HCRTR1HCRTR2KDM4E
SCHEMBL7967665 0.89 ABL1 (0.35) DHODHPTGS2HCRTR1HCRTR2ABL1
SCHEMBL7964307 0.88 FPR1 (0.35) DHODHHCRTR1SLC18A3ABL1FFAR4
SCHEMBL7965374 0.87 DHODH (0.36) DHODHHCRTR1HCRTR2
SCHEMBL7965403 0.87 HCRTR1 (0.34) HCRTR1HCRTR2ABL1FFAR4FPR1
SCHEMBL7964887 0.87 L3MBTL1 (0.33) DHODHHCRTR1HCRTR2NPC1RAB9A
SCHEMBL7963132 0.86 PDE4B (0.34) DHODHHCRTR1HCRTR2KDM4ESLC18A3
SCHEMBL7953127 0.81 KCNMA1 (0.36) DHODHPTGS2ABL1CHRNB2CHRNA6
SCHEMBL8330821 0.81 DHODH (0.36) DHODHSLC18A3ABL1FFAR4FPR1

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