SCHEMBL11310484

SCHEMBL11310484

COc1cc2ccsc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NQO1 P15559 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.39
ALOX15 P16050 1/20 0.38
EP300 Q09472 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL14673728 0.77 MAPT (0.41) MAPTTSHRHPGDSMN1; SMN2NQO1
SCHEMBL11556458 0.76 CYP1A2 (0.41) TSHRHPGDALDH1A1ALOX15KMT2A
SCHEMBL16009860 0.74 MAOA (0.42) MAPTTSHRHPGDSMN1; SMN2KDM4E
SCHEMBL13563036 0.73 MAPT (0.38) MAPTTSHRNQO1ALDH1A1IDO1
SCHEMBL10725852 0.73 PDGFRB (0.39) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL28859068 0.73 MAPT (0.43) MAPTCA1CA2
SCHEMBL1128095 0.72 NQO1 (0.56) MAPTLMNAHPGDSMN1; SMN2NQO1
SCHEMBL10607942 0.72 MAPT (0.43) MAPTTSHRHPGDSMN1; SMN2NQO1
SCHEMBL10734164 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL14673501 0.71 MAPT (0.46) MAPTTSHRNQO1CA12CA1

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
US-4252895-A 1,3,4-THIADIAZOLE COMPOUND ORIENTAL PHOTO INDUSTRIAL CO., LTD. (JP) 1981-02-24 US disclosed