SCHEMBL2398302

SCHEMBL2398302

CC(COc1c(C)cccc1C)=NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 5/20 0.45
SCN4A P35499 7/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 4/20 0.43
SCN1A P35498 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN9A Q15858 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
NFKB1 P19838 2/20 0.43
CYP2C9 P11712 1/20 0.43
KCNK3 O14649 1/20 0.43
CACNA1F O60840 1/20 0.43
KCNK2 O95069 1/20 0.43
GBA1 P04062 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL2398296 1.00 HSD17B10 (0.45) HSD17B10CASP1KMT2ASCN4ALMNA
SCHEMBL9124656 0.80 ALDH1A1 (0.48) HSD17B10KMT2ALMNAMEN1MAPT
SCHEMBL9124650 0.80 ALDH1A1 (0.48) HSD17B10KMT2ALMNAMEN1MAPT
SCHEMBL9122991 0.79 ALDH1A1 (0.49) KMT2ALMNAMEN1TSHRCYP1A2
SCHEMBL9122996 0.79 ALDH1A1 (0.49) KMT2ALMNAMEN1TSHRCYP1A2
SCHEMBL11704817 0.78 KMT2A (0.43) HSD17B10CASP1KMT2ASCN4ALMNA
SCHEMBL2395073 0.77 GAA (0.51) KMT2ASCN4ALMNAMEN1SCN1A
SCHEMBL2395075 0.77 GAA (0.51) KMT2ASCN4ALMNAMEN1SCN1A
SCHEMBL836542 0.76 KMT2A (0.56) HSD17B10CASP1KMT2ASCN4ALMNA
SCHEMBL6575634 0.76 KMT2A (0.47) HSD17B10CASP1KMT2ASCN4ALMNA

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
CN-105692770-B The device and its method of work of inorganic non-metallic pollutant in a kind of semi-automatic formula processing waste water that reloads 徐州工程学院 2018-01-19 CN claimed
CN-105692770-B The device and its method of work of inorganic non-metallic pollutant in a kind of semi-automatic formula processing waste water that reloads 徐州工程学院 2018-01-19 CN disclosed
US-8012901-B1 Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-06 US disclosed
US-4031244-A ANTICONVULSIVES, ANTIARRHYTHMIA BOEHRINGER INGELHEIM GMBH (DT) 1977-06-21 US disclosed
US-3954872-A 1-(2',6'-Dimethyl-phenoxy)-2-amino-alkanes and salts thereof BOEHRINGER INGELHEIM GMBH (DT) 1976-05-04 US disclosed