SCHEMBL3526996

SCHEMBL3526996

O=S(=O)(Cc1ccccc1)N1C=CN=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
FAAH O00519 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
ELANE P08246 1/20 0.35
PRTN3 P24158 1/20 0.35
PRSS3 P35030 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CTSG P08311 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL3518151 0.80 KDM4E (0.41) TSHRALDH1A1
SCHEMBL3521402 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3500815 0.71 P2RX1 (0.36)
SCHEMBL3526384 0.69 ALDH1A1 (0.43) TSHRKMT2AMEN1ALDH1A1POLB
SCHEMBL3635590 0.66 P2RX4 (0.39) TSHRALDH1A1
SCHEMBL11882961 0.64 LMNA (0.31) TSHR
SCHEMBL3517642 0.62 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7410985 0.62 CA1 (0.44) TSHRKMT2AALDH1A1POLBMAPT
SCHEMBL11868744 0.61 MAPT (0.38) KMT2AMEN1ALDH1A1MAPT
SCHEMBL29714456 0.60 TSHR (0.50) TSHRKMT2AMEN1ALDH1A1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO claimed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO disclosed