SCHEMBL7952126

SCHEMBL7952126

N#Cc1c(C(N)=O)c2n(c1-c1cccnc1)CCCC2O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.41
UCHL1 P09936 2/20 0.40
MKNK1 Q9BUB5 3/20 0.37
MKNK2 Q9HBH9 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP11B1 P15538 1/20 0.37
TSHR P16473 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
GAA P10253 2/20 0.35
GLA P06280 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) CYP11B2UCHL1MKNK1MKNK2KDM4E
SCHEMBL7963284 0.90 UCHL1 (0.40) CYP11B2UCHL1KDM4EHTTHSD17B10
SCHEMBL7967855 0.87 UCHL1 (0.40) CYP11B2UCHL1KDM4EHTTCYP11B1
SCHEMBL7961438 0.86 CYP11B2 (0.41) CYP11B2UCHL1KDM4EHTTHSD17B10
SCHEMBL7964715 0.85 CYP11B2 (0.43) CYP11B2MKNK1MKNK2KDM4EALDH1A1
SCHEMBL7964580 0.85 CYP11B2 (0.43) CYP11B2MKNK1MKNK2ALDH1A1
SCHEMBL2158122 0.85 CYP11B2 (0.43) CYP11B2MKNK1MKNK2ALDH1A1
SCHEMBL7964582 0.85 CYP11B2 (0.43) CYP11B2MKNK1MKNK2ALDH1A1
SCHEMBL7962238 0.82 CYP11B2 (0.41) CYP11B2MKNK1MKNK2HTTALDH1A1
SCHEMBL7963297 0.82 MKNK1 (0.42) CYP11B2MKNK1MKNK2KDM4EHTT

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 2 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
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