SCHEMBL7017364

SCHEMBL7017364

CS(=O)(=O)OCCn1c(=O)oc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
TSHR P16473 3/20 0.57
RAB9A P51151 1/20 0.57
MAPK1 P28482 3/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 1/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C19 P33261 1/20 0.51

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
SCHEMBL30194776 0.82 L3MBTL1 (0.67) POLBALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL14667448 0.79 ALDH1A1 (0.66) POLBALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL26614454 0.77 MAPK1 (0.64) ALDH1A1NPSR1SMN1; SMN2TSHRMAPK1
SCHEMBL9210565 0.77 ALDH1A1 (0.72) ALDH1A1NPSR1SMN1; SMN2TSHRRAB9A
SCHEMBL11709456 0.75 MEN1 (0.50) ALDH1A1KMT2ACYP2C19
SCHEMBL14667512 0.75 POLB (0.57) POLBALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL14804197 0.75 POLB (0.57) POLBALDH1A1NPSR1SMN1; SMN2TSHR
SCHEMBL10284153 0.74 ALDH1A1 (0.78) ALDH1A1NPSR1SMN1; SMN2TSHRRAB9A
SCHEMBL5538352 0.74 ALDH1A1 (0.78) ALDH1A1NPSR1SMN1; SMN2TSHRRAB9A
SCHEMBL11450079 0.74 POLB (0.58) POLBALDH1A1NPSR1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705832-B1 Serotonergic modulators LILLY CO ELI (GB) 2003-08-13 EP disclosed
US-5563147-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0705832-A1 Serotonergic modulators LILLY INDUSTRIES LIMITED (GB) 1996-04-10 EP disclosed