SCHEMBL6049186

SCHEMBL6049186

CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2C2CCCN2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 9/20 0.53
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ SOS1 Q07889 1/20 0.34

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
Hydrochloric Acid SCHEMBL6049202 0.99 SLC6A4 (0.52) SLC6A4MEN1KMT2ACA1CA2
SCHEMBL6049188 0.88 SLC6A4 (0.54) SLC6A4MEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL6049215 0.77 SLC6A4 (0.51) SLC6A4CA1CA2CA9CA7
Hydrochloric Acid SCHEMBL6049196 0.77 MEN1 (0.48) SLC6A4MEN1KMT2ASLC6A3SMN1; SMN2
SCHEMBL6049182 0.76 SLC6A4 (0.49) SLC6A4CA1CA2CA9CA7
Uk-390957 SCHEMBL931652 0.69 SLC6A4 (1.00) SLC6A4SLC6A3SOS1
SCHEMBL15080486 0.68 SLC6A4 (0.72) SLC6A4SLC6A3
SCHEMBL6049203 0.66 KIF11 (0.48) SLC6A4MEN1KMT2ASLC6A3
Hydrochloric Acid SCHEMBL6049178 0.65 SLC6A4 (0.53) SLC6A4MEN1KMT2AALDH1A1LMNA
SCHEMBL6049201 0.65 TACR1 (0.40) SLC6A4MEN1KMT2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1184372-B1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) PFIZER LTD (GB) 2006-04-26 — — EP claimed
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