Propane

Propane

SCHEMBL10848552

CC.CCC.CCOc1nc(C)cc(C)n1.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33

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 SCHEMBL10851836 0.90 LMNA (0.46) KMT2AALDH1A1TSHRHSD17B10TP53
Propane SCHEMBL10852960 0.89 KMT2A (0.34) KMT2AALDH1A1TSHRHSD17B10TP53
Propane SCHEMBL10857479 0.89 LMNA (0.32) KMT2AALDH1A1TSHRHSD17B10TP53
Ethane SCHEMBL10922589 0.88 LMNA (0.47) KMT2AALDH1A1TSHRHSD17B10TP53
Propane SCHEMBL10854163 0.88 LMNA (0.47) KMT2AALDH1A1TSHRHSD17B10TP53
Propane SCHEMBL10850051 0.88 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10TP53CYP3A4
Propane SCHEMBL10857615 0.86 CYP1A2 (0.36) KMT2AALDH1A1TSHRHSD17B10TP53
Butane SCHEMBL10852232 0.85 LMNA (0.45) KMT2AALDH1A1TSHRHSD17B10TP53
Methane SCHEMBL10919631 0.85 LMNA (0.47) KMT2AALDH1A1TSHRHSD17B10TP53
SCHEMBL8345854 0.84 MEN1 (0.42) KMT2AALDH1A1TSHRHSD17B10LMNA

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-4584295-A Pyrimidylmethyl thiophosphorus esters useful for the control of insects, mites and nematodes HOFFMANN-LA ROCHE INC. (US) 1986-04-22 US disclosed