SCHEMBL3526384

SCHEMBL3526384

O=S(=O)(c1cccs1)N1C=CN=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 3/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNN4 O15554 1/20 0.40
KCNA3 P22001 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3521402 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3500815 0.69 P2RX1 (0.36)
SCHEMBL3526996 0.69 TSHR (0.40) ALDH1A1MAPTPOLBCYP2C19TSHR
SCHEMBL3518151 0.69 KDM4E (0.41) ALDH1A1NPSR1PKMTSHRLMNA
SCHEMBL3527135 0.63 P2RX4 (0.34) TSHRLMNAMAPK1
SCHEMBL4908709 0.62 P2RX4 (0.31)
SCHEMBL11667029 0.62 LMNA (0.33) TSHRLMNAMAPK1
SCHEMBL11882961 0.62 LMNA (0.31) TSHRLMNAMAPK1
SCHEMBL9565455 0.62 LMNA (0.31) TSHRLMNAMAPK1
SCHEMBL3635590 0.61 P2RX4 (0.39) ALDH1A1NPSR1TSHRLMNAMAPK1

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
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
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed