Cyclohexane

Cyclohexane

SCHEMBL9980447

C1CCCCC1.Nc1ccc[nH]1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ INCENP Q9NQS7 1/20 0.42
▸ DAO P14920 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ FKBP5 Q13451 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ APOBEC3G Q9HC16 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
Ammonia Solution, Strong SCHEMBL29014480 0.88 — —
SCHEMBL19838559 0.88 — —
Hydrochloric Acid SCHEMBL29144528 0.88 — —
Hydrochloric Acid SCHEMBL5652646 0.88 — —
Oxirane SCHEMBL28467741 0.84 — —
Formamide SCHEMBL28513591 0.79 — —
Pyrimidine SCHEMBL28763829 0.75 AURKA (0.37) AURKAAURKBINCENP
Bromobenzene SCHEMBL28859942 0.75 ALDH1A1 (0.50) AURKAAURKBINCENPFKBP5ALDH1A1
Maleic Acid SCHEMBL31158052 0.72 MAPT (0.41) AURKAAURKBINCENPHDAC8HDAC6
SCHEMBL28843930 0.72 AURKA (0.34) AURKAAURKBINCENP

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
WO-2011150201-A2 AZOLYL AMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 — — WO disclosed
Send feedback