SCHEMBL20195499

SCHEMBL20195499

CN(N)c1cccc(F)c1COc1cccc(C#N)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
GAA P10253 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSS P25774 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL20195407 0.80 HTR7 (0.32)
SCHEMBL20195408 0.71 CYP11B1 (0.33) GABRA5CYP11B1CYP11B2
SCHEMBL22037502 0.70 HTR7 (0.41) GABRA5GAA
SCHEMBL20195620 0.70 KMT2A (0.32) GAAKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL20195414 0.68 TDP1 (0.41) KDM4ERAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL18831542 0.68 KDM4E (0.40) GAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2952806 0.68 GABRA5 (0.49) GABRA5GAACTSSP2RX3
SCHEMBL22037223 0.68 HTR7 (0.41) GABRA5
SCHEMBL2959124 0.68 GABRA5 (0.55) GABRA5KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL22038196 0.68 HTR7 (0.49) GABRA5

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