SCHEMBL20195403

SCHEMBL20195403

Cc1cccc(OCc2c(Cl)cccc2N(C)N)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.43
BDKRB2 P30411 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
HTR7 P34969 1/20 0.34
GRM5 P41594 3/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MPO P05164 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL22037240 0.86 HTR7 (0.48) SMN1; SMN2NR1H4HTR7MPO
SCHEMBL22038672 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTR7GRM5KMT2ARAB9A
SCHEMBL20195484 0.78 GABRA5 (0.39) GABRA5NR1H4HTR7GRM5RXRA
SCHEMBL20686713 0.77 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1NR1H4KMT2ANPC1
SCHEMBL22037695 0.75 HTR7 (0.36) GABRA5SMN1; SMN2HTR7
SCHEMBL22563957 0.74 MAPT (0.40) SMN1; SMN2NPSR1NR1H4KMT2A
SCHEMBL22038196 0.74 HTR7 (0.49) GABRA5HTR7
SCHEMBL20686709 0.74 MRGPRX4 (0.46) SMN1; SMN2NPSR1KMT2ANPC1RAB9A
SCHEMBL20195622 0.74 GABRA5 (0.46) GABRA5NR1H4CYP11B1CYP11B2KMT2A
SCHEMBL20195624 0.74 GABRA5 (0.43) GABRA5BDKRB2SMN1; SMN2NPSR1CYP11B1

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