SCHEMBL18533299

SCHEMBL18533299

C=C1CCSc2cc3c(cc21)sc1ccccc13

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGIR P43119 1/20 0.32
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 1/20 0.30
PTPN22 Q9Y2R2 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
SCHEMBL86220 0.82 ALDH1A1 (0.47) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL87299 0.73 ALDH1A1 (0.49) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL17433226 0.71 GPR3 (0.67) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL23917090 0.69 GPR3 (0.78) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL1637414 0.69 GPR3 (0.78) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL30451427 0.69 GPR3 (0.78) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL30077259 0.69 GPR3 (0.78) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL18533298 0.69 MAPT (0.46) MAPTALDH1A1TDP1POLBHPGD
SCHEMBL17433157 0.68 GPR3 (0.61) GPR3MAPTALDH1A1TDP1L3MBTL1
SCHEMBL17431147 0.68 GPR3 (0.61) GPR3MAPTALDH1A1TDP1L3MBTL1

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-2053095-B2 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2017-02-22 EP disclosed