Cyclohexane

Cyclohexane

SCHEMBL9501557

C1CCCCC1.CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1CO

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 19/20 0.57
MEN1 O00255 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
TSHR P16473 2/20 0.57
PTGS1 P23219 2/20 0.57
PTGS2 P35354 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PTGES O14684 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 1/20 0.51
MLNR O43193 1/20 0.51
LMNA P02545 1/20 0.51
MMP1 P03956 1/20 0.51
MPO P05164 1/20 0.51

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
SCHEMBL9501952 0.82 CYP19A1 (0.68) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL3826582 0.79 MAPT (0.58) MEN1CYP1A2CYP3A4MAPTTSHR
SCHEMBL3237240 0.79 CYP19A1 (0.64) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL6575650 0.78 CYP19A1 (0.59) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL8921492 0.77 CYP19A1 (0.60) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL2307589 0.77 CYP19A1 (0.59) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL10658813 0.76 CYP19A1 (0.61) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL4603877 0.76 CYP19A1 (0.65) CYP19A1MEN1CYP1A2CYP3A4MAPT
Methanesulfonamide SCHEMBL4796610 0.75 CYP19A1 (0.57) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL28639117 0.75 SMN1; SMN2 (0.54) CYP19A1CYP1A2MAPTKMT2ASMN1; SMN2

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
EP-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed