Butane

Butane

SCHEMBL11042809

CCCC.O=[PH](O)OCCCn1cncn1

nearest known ligand 0.47

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
EGLN3 Q9H6Z9 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL8926510 0.76 EGLN3 (0.44) MAPTLMNAEGLN3ALDH1A1SMN1; SMN2
SCHEMBL7615342 0.72 MAPT (0.51) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL11472749 0.70 TBXAS1 (0.46) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL8464105 0.70 TBXAS1 (0.46) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL7811091 0.70 TBXAS1 (0.46) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL11488575 0.70 TBXAS1 (0.46) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL11479603 0.70 TBXAS1 (0.46) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL11471344 0.70 TBXAS1 (0.46) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL11471431 0.70 TBXAS1 (0.46) MEN1KMT2ATSHRUSP2HSD17B10
SCHEMBL11471409 0.70 TBXAS1 (0.46) MEN1KMT2ATSHRUSP2HSD17B10

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-4439428-A 1,2,4-TRIAZOL-1-YL-ALKYLENE PHOSPHONIC ACIDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-27 US disclosed