Cyclohexane

Cyclohexane

SCHEMBL9858532

C1CCCCC1.C=NC(=O)c1cccc(C(N)=O)c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.52
GAA P10253 1/20 0.45
PARP15 Q460N3 3/20 0.43
PARP10 Q53GL7 3/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TNKS O95271 1/20 0.41
PARP14 Q460N5 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL29496476 0.94 PARP1 (0.57) PARP1PARP15PARP10TSHRPOLB
SCHEMBL5538207 0.94 PARP1 (0.57) PARP1PARP15PARP10TSHRPOLB
Cyclohexane SCHEMBL180075 0.84 PARP1 (0.64) PARP1GAAPARP15PARP10BRD4
SCHEMBL2831672 0.84 PARP1 (0.64) PARP1GAAPARP15PARP10BRD4
Cyclohexane SCHEMBL9229438 0.82 PARP1 (0.61) PARP1GAAPARP15PARP10BRD4
Cyclohexane SCHEMBL10592083 0.81 PARP10 (0.43) PARP1PARP15PARP10TSHRPOLB
Terephthalamide SCHEMBL4985044 0.81 PARP1 (0.59) PARP1GAAPARP15PARP10BRD4
SCHEMBL31021028 0.78 PARP1 (0.73) PARP1PARP15PARP10TSHRPOLB
SCHEMBL36694 0.78 PARP1 (0.73) PARP1PARP15PARP10TSHRPOLB
Hydrochloric Acid SCHEMBL1367509 0.76 PARP1 (0.70) PARP1PARP15PARP10TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301003-B1 MODIFIED POLYPHENYLENE ETHER-POLYAMIDE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1991-01-02 EP disclosed
EP-0301004-A1 POLYPHENYLENE ETHER-POLYAMIDE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1989-02-01 EP disclosed
EP-0301003-A1 MODIFIED POLYPHENYLENE ETHER-POLYAMIDE COMPOSITIONS. GEN ELECTRIC (US) 1989-02-01 EP disclosed
WO-1988006172-A1 MODIFIED POLYPHENYLENE ETHER-POLYAMIDE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1988-08-25 WO disclosed
WO-1988006168-A1 POLYPHENYLENE ETHER-POLYAMIDE COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1988-08-25 WO disclosed