Sugi Predict

Sugi Predict / Compounds / Propane

Propane

Propane

SCHEMBL8394288

CCC.Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ HTT P42858 2/20 0.65
▸ POLB P06746 1/20 0.65
▸ MAPT P10636 1/20 0.61
▸ KMT2A Q03164 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ GAA P10253 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TSHR P16473 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
Propane SCHEMBL7944599 0.98 PKM (0.63) PKMALDH1A1HTTPOLBMAPT
SCHEMBL6013980 0.95 PKM (0.71) PKMALDH1A1HTTPOLBMAPT
SCHEMBL3977980 0.95 PKM (0.71) PKMALDH1A1HTTPOLBMAPT
Bromide SCHEMBL3970603 0.93 PKM (0.69) PKMALDH1A1HTTPOLBMAPT
SCHEMBL5955341 0.93 MAPT (0.69) PKMALDH1A1HTTPOLBMAPT
SCHEMBL651924 0.93 MAPT (0.69) PKMALDH1A1HTTPOLBMAPT
SCHEMBL9122576 0.93 MAPT (0.69) PKMALDH1A1HTTPOLBMAPT
SCHEMBL8631891 0.92 MAPT (0.67) PKMALDH1A1HTTPOLBMAPT
SCHEMBL3419433 0.92 MAPT (0.67) PKMALDH1A1HTTPOLBMAPT
SCHEMBL8134887 0.92 MAPT (0.67) PKMALDH1A1HTTPOLBMAPT

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-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 — — US disclosed