SCHEMBL27596185

SCHEMBL27596185

[CH2]CCN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TSHR P16473 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 2/20 0.55
SORD Q00796 1/20 0.54
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.45
LDHA P00338 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL20952436 0.78 TSHR (0.72) ALDH1A1TSHRSMN1; SMN2POLBSORD
SCHEMBL8437512 0.76 TSHR (1.00) ALDH1A1TSHRSMN1; SMN2POLBSORD
Benzisothiazole-3Yl-Piperazine Sulfoxide SCHEMBL2967002 0.76 TSHR (0.68) ALDH1A1TSHRSMN1; SMN2POLBSORD
SCHEMBL10469596 0.72 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2
SCHEMBL7979120 0.72 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2
SCHEMBL10469851 0.72 SMN1; SMN2 (0.67) ALDH1A1TSHRSMN1; SMN2POLBSORD
Hydrochloric Acid SCHEMBL9593885 0.72 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2
SCHEMBL10471423 0.69 SMN1; SMN2 (0.65) ALDH1A1TSHRSMN1; SMN2POLBSORD
SCHEMBL30896637 0.69 GAA (0.65) ALDH1A1TSHRSMN1; SMN2POLBSORD
SCHEMBL30896611 0.68 TSHR (0.61) ALDH1A1TSHRSMN1; SMN2POLBSORD

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
CN-1468239-A Substituted pyrazoles ����-������ҩƷ��˾ 2004-01-14 CN claimed