Cyclohexane

Cyclohexane

SCHEMBL4197370

C1CCCCC1.CC(C)NCc1cccnc1NS(=O)(=O)c1cccs1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
NFKBIA P25963 1/20 0.46
RELA Q04206 1/20 0.46
GLO1 Q04760 1/20 0.46
TSHR P16473 3/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRK1 P41145 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
MMP2 P08253 2/20 0.42
CCR2 P41597 1/20 0.42
CCR4 P51679 1/20 0.42

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
Cycloheptane SCHEMBL4200303 1.00 KDM4E (0.47) KDM4ENFKBIARELAGLO1TSHR
SCHEMBL4197365 0.87 ALDH1A1 (0.41) KDM4ENFKBIARELAGLO1TSHR
SCHEMBL4194794 0.87 ALDH1A1 (0.41) KDM4ENFKBIARELAGLO1TSHR
Cyclohexanol SCHEMBL4190330 0.74 NPC1 (0.50) KDM4ENFKBIARELAGLO1TP53
SCHEMBL9967942 0.72 KDM4E (0.58) KDM4ENFKBIARELAGLO1TSHR
SCHEMBL8840340 0.71 KDM4E (0.69) KDM4ENFKBIARELAGLO1TSHR
SCHEMBL4192695 0.70 NFKBIA (0.46) KDM4ENFKBIARELAGLO1TSHR
SCHEMBL13428897 0.70 ADRA2C (0.40) ALDH1A1CYP2C19
SCHEMBL4198105 0.69 NPC1 (0.49) KDM4ETP53HTTGAAALDH1A1
SCHEMBL6180658 0.69 CCR4 (0.69) KDM4ENFKBIARELAGLO1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 KDM4E 3328/4885NFKBIA 1885/4885RELA 1033/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.