SCHEMBL40984

SCHEMBL40984

O=C(O)CCSCc1cccc(C(=O)Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.63
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 4/20 0.45
LMNA P02545 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.41
AR P10275 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL39871 0.83 ALDH1A1 (0.46) CYP2C19HPGDALDH1A1SMN1; SMN2TP53
SCHEMBL40072 0.80 SLC7A5 (0.43) CYP2C19HPGDALDH1A1SMN1; SMN2TP53
SCHEMBL15093745 0.79 KEAP1 (0.57) ALDH1A1SMN1; SMN2THRBARKMT2A
SCHEMBL44801 0.78 CYP2C19 (1.00) CYP2C19HPGDALDH1A1SMN1; SMN2TP53
SCHEMBL25628994 0.78 CYP2C19 (0.67) CYP2C19HPGDALDH1A1SMN1; SMN2TP53
SCHEMBL13870201 0.78 CYP2C19 (0.67) CYP2C19HPGDALDH1A1TP53LMNA
SCHEMBL7969088 0.75 AKR1B1 (0.54) CYP2C19HPGDALDH1A1LMNAMAPT
SCHEMBL13778167 0.75 CYP2C19 (0.61) CYP2C19HPGDALDH1A1SMN1; SMN2TP53
SCHEMBL39630 0.73 FOLH1 (0.63) HPGDSMN1; SMN2CYP1A2ARMRGPRX4
SCHEMBL4575991 0.73 CYP2C19 (0.59) CYP2C19HPGDALDH1A1SMN1; SMN2LMNA

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-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed