SCHEMBL20195406

SCHEMBL20195406

COc1cccc(N(C)N)c1COc1ncccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
NFE2L2 Q16236 5/20 0.39
SLC22A12 Q96S37 1/20 0.38
ADORA2A P29274 1/20 0.36
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL20195513 0.79 TAAR1 (0.34) MAPTNFE2L2SLC22A12HTR1ASLC6A2
SCHEMBL20195504 0.73 GRM5 (0.36) MAPTADORA2ASLC6A2ALDH1A1
SCHEMBL20195581 0.72 KMT2A (0.38) CYP1A2CYP2C9CYP2C19SSTR4ALDH1A1
SCHEMBL20195545 0.72 AOC3 (0.33)
SCHEMBL20195515 0.71 NPC1 (0.38) MAPTCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL20195490 0.70 FFAR1 (0.30) SSTR4
SCHEMBL30440802 0.69 SLC22A12 (0.55) MAPTNFE2L2SLC22A12HTR1ASLC6A2
SCHEMBL322870 0.69 SLC22A12 (0.55) MAPTNFE2L2SLC22A12HTR1ASLC6A2
SCHEMBL20195505 0.69 ADRA2A (0.33) MAPTSLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL22037259 0.69 HTR7 (0.47) HTR1AALDH1A1

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed