Butane

Butane

SCHEMBL11876142

CCCC.CCCCNc1ccc2c3c(cccc13)C(=O)NC2=O

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
USP2 O75604 3/20 0.65
POLB P06746 3/20 0.65
RGS12 O14924 2/20 0.65
MAPT P10636 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.65
ATM Q13315 1/20 0.65
TLR9 Q9NR96 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
DYRK3 O43781 1/20 0.57
RPS6KB1 P23443 1/20 0.57
EPHA2 P29317 1/20 0.57
FLT4 P35916 1/20 0.57
CSNK2A1 P68400 1/20 0.57
FGFR1 P11362 2/20 0.47
KDR P35968 2/20 0.47

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
SCHEMBL28495677 0.93 MEN1 (0.60) MEN1KMT2AUSP2POLBRGS12
SCHEMBL28552747 0.90 MEN1 (0.55) MEN1KMT2AUSP2POLBRGS12
SCHEMBL11694697 0.88 MAPT (0.60) MEN1KMT2AUSP2POLBRGS12
SCHEMBL5517131 0.85 MEN1 (0.51) MEN1KMT2AUSP2POLBRGS12
SCHEMBL27649471 0.84 MEN1 (0.53) MEN1KMT2AUSP2POLBRGS12
SCHEMBL19001472 0.84 FGFR1 (0.51) MEN1KMT2AUSP2POLBRGS12
SCHEMBL3673080 0.84 KMT2A (0.49) MEN1KMT2AUSP2POLBRGS12
SCHEMBL14817770 0.84 KMT2A (0.81) MEN1KMT2AUSP2POLBRGS12
Hydrochloric Acid SCHEMBL16213631 0.83 FGFR1 (0.50) MEN1KMT2AUSP2POLBRGS12
SCHEMBL11687814 0.83 POLB (0.55) MEN1KMT2AUSP2POLBRGS12

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-3939093-A 4-AMINO-1,8-NAPHTHALIC ACID IMIDE HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed