SCHEMBL20004452

SCHEMBL20004452

CS(=O)(=O)N1CCN(c2ccc(I)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
AKR1C3 P42330 1/20 0.46

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
SCHEMBL13591281 0.83 AKR1C3 (0.47) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL82680 0.83 MEN1 (0.69) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2155630 0.81 MEN1 (0.68) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2453453 0.81 MAPT (0.59) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL974007 0.81 POLB (0.54) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1926789 0.81 MAPT (0.58) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6152910 0.81 MAPT (0.58) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL941084 0.81 ALDH1A1 (0.65) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2103070 0.81 CYP2C9 (0.72) POLBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20887246 0.80 SMN1; SMN2 (0.51) POLBMEN1KMT2AMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed