Sugi Predict

Sugi Predict / Compounds / SCHEMBL9437597

SCHEMBL9437597

SCHEMBL9437597

O=C(c1cs[c]n1)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ REN P00797 19/20 0.43
▸ CTSD P07339 4/20 0.42
▸ CTSE P14091 4/20 0.42
▸ PGA5 P0DJD9 3/20 0.41

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
SCHEMBL9437535 0.89 REN (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL9437573 0.88 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL9437653 0.85 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL9437637 0.85 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AREN
SCHEMBL9437538 0.84 ALDH1A1 (0.37) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL7385524 0.82 MEN1 (0.61) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL7317104 0.82 MEN1 (0.61) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL9437551 0.80 MEN1 (0.45) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL9437521 0.78 MEN1 (0.47) MEN1ALDH1A1KMT2ASMN1; SMN2REN
SCHEMBL9437603 0.76 MEN1 (0.46) MEN1ALDH1A1KMT2ASMN1; SMN2REN

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
US-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 — — US disclosed