SCHEMBL45249

SCHEMBL45249

CS(=O)(=O)c1ccc(-c2cnc(NC(=O)c3cc(N4CCCCC4)ccc3N)cn2)cc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.41
MAPT P10636 3/20 0.38
F10 P00742 3/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
RAB9A P51151 2/20 0.37
HDAC1 Q13547 2/20 0.37
GAA P10253 1/20 0.37
ABL1 P00519 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC3 O15379 2/20 0.35

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
SCHEMBL45554 0.88 THRA (0.42) MAPTRAB9AGAA
SCHEMBL40377 0.85 IP6K1 (0.44) IP6K1MAPTF10BMPR1BBMPR1A
SCHEMBL40209 0.79 SCN10A (0.44) IP6K1MAPTF10HDAC1SCN10A
SCHEMBL40233 0.74 HPGD (0.47) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL40407 0.69 IP6K1 (0.46) IP6K1MAPTBMPR1BBMPR1ATGFBR1
SCHEMBL28168973 0.69 LRRK2 (0.49) IP6K1MAPTF10RAB9AHDAC1
SCHEMBL17690691 0.68 PHGDH (0.40) IP6K1MAPTRAB9ASMN1; SMN2JAK2
SCHEMBL10149225 0.68 IP6K1 (0.53) IP6K1MAPTF10BMPR1BBMPR1A
SCHEMBL17779283 0.68 IP6K1 (0.66) IP6K1MAPTRAB9AHDAC1GAA
SCHEMBL1696908 0.68 SERPINE1 (0.43) MAPTF10GAASCN10ASMN1; 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-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