SCHEMBL11205280

SCHEMBL11205280

O=C(S)Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
FFAR1 O14842 1/20 0.44
HPGD P15428 5/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 2/20 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
SCHEMBL15547537 0.80 CA12 (0.42) CA12CA1CA2CA3CA4
SCHEMBL2509039 0.78 FFAR1 (0.48) CA12CA1CA2CA3CA4
SCHEMBL1672797 0.78 FFAR1 (0.48) CA12CA1CA2CA3CA4
SCHEMBL3087191 0.78 FFAR1 (0.48) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL11847778 0.76 FFAR1 (0.46) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL6972010 0.76 FFAR1 (0.52) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL4800015 0.75 FFAR1 (0.46) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL20827294 0.75 FFAR1 (0.41) FFAR1HPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL7078392 0.75 HPGD (0.39) CA12CA1CA2CA3CA4
SCHEMBL3038672 0.74 SIRT1 (0.47) FFAR1HPGDMAPTHSD17B10SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021150-B1 PAROMOMYCIN DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF AND THERAPEUTICAL COMPOSITION CONTAINING THEM FARMITALIA CARLO ERBA S.p.A. (IT) 1983-05-18 EP claimed
US-4337248-A FOR TREATING AMOEBIC DYSENTERY FARMITALIA CARLO ERBA S.P.A. (IT) 1982-06-29 US claimed
EP-0021150-A1 Paromomycin derivatives, a process for the preparation thereof and therapeutical composition containing them FARMITALIA CARLO ERBA S.p.A. (IT) 1981-01-07 EP claimed