SCHEMBL5028205

SCHEMBL5028205

Nc1c(Br)ccc2c1sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR3 P46089 1/20 0.46
LIMK1 P53667 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
IKBKB O14920 1/20 0.40
ALOX5 P09917 1/20 0.37
PTPN1 P18031 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IDO1 P14902 3/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL3880779 0.81 MAPT (0.50) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL20441891 0.78 PTPN1 (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL31261509 0.78 GPR3 (0.46) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL29132651 0.78 MAPT (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL5713526 0.78 ALDH1A1 (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL24722920 0.78 GPR3 (0.46) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3876656 0.78 ALOX5 (0.51) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL17928567 0.78 MAPT (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL12925898 0.78 GPR3 (0.46) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL15497424 0.77 GPR3 (0.68) MAPTALDH1A1RAB9AHPGDSMN1; SMN2

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-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed