SCHEMBL7963284

SCHEMBL7963284

CC(=O)c1c(C#N)c(-c2cccnc2)n2c1C(O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.40
USP30 Q70CQ3 1/20 0.38
CYP11B2 P19099 9/20 0.38
CYP11B1 P15538 3/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CCNC P24863 1/20 0.36
HTT P42858 1/20 0.36
CDK8 P49336 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS2 P35354 2/20 0.35
BLM P54132 1/20 0.35
ACHE P22303 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL8327037 0.91 UCHL1 (0.41) UCHL1USP30CYP11B2CYP11B1PIK3CD
SCHEMBL7952126 0.90 CYP11B2 (0.41) UCHL1USP30CYP11B2CYP11B1PIK3CD
SCHEMBL7967855 0.89 UCHL1 (0.40) UCHL1USP30CYP11B2CYP11B1PIK3CD
SCHEMBL7961904 0.86 CYP11B2 (0.39) CYP11B2CYP11B1KDM4EALDH1A1HSD17B10
SCHEMBL7961438 0.86 CYP11B2 (0.41) UCHL1USP30CYP11B2CYP11B1KDM4E
SCHEMBL7967732 0.85 CYP11B2 (0.39) CYP11B2CYP11B1KDM4EALDH1A1BLM
SCHEMBL7964875 0.84 CYP11B2 (0.37) CYP11B2KDM4EALDH1A1HTTBLM
SCHEMBL7967494 0.83 CYP11B2 (0.41) UCHL1USP30CYP11B2CYP11B1PIK3CD
SCHEMBL7963132 0.81 PDE4B (0.34) UCHL1CYP11B2KDM4E
SCHEMBL7952967 0.81 DPP4 (0.35) UCHL1KDM4EALDH1A1

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