SCHEMBL4522928

SCHEMBL4522928

O=c1nc[nH]cc1CS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
PSIP1 O75475 1/20 0.39
QPCT Q16769 1/20 0.38
MPO P05164 1/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MPI P34949 1/20 0.37
HTT P42858 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DAO P14920 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
MEN1 O00255 1/20 0.35
MCOLN3 Q8TDD5 1/20 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
SCHEMBL4523968 0.73 POLB (0.43) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7158988 0.69 PSIP1 (0.50) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14272117 0.67 PSIP1 (0.48) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14491150 0.67 HTR6 (0.50) SMN1; SMN2RAB9AALDH1A1MAPTKMT2A
SCHEMBL3483640 0.66 PSIP1 (0.47) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11922695 0.65 PSIP1 (0.61) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10749372 0.65 CYP19A1 (0.58) POLBSMN1; SMN2ALDH1A1MPOMAPT
SCHEMBL24625403 0.64 PSIP1 (0.54) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3147023 0.64 PSIP1 (0.48) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1283787 0.64 PSIP1 (0.48) POLBSMN1; SMN2NPC1RAB9AALDH1A1

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-2124919-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-02 EP disclosed
WO-2008103314-A2 METHODS FOR MODULATING BONE FORMATION AND MINERALIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-08-28 WO disclosed