Butane

Butane

SCHEMBL7723409

CCCC.CCOC(=O)Cc1ncccc1[N+](=O)[O-]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
MAPK1 P28482 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CTSB P07858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 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
SCHEMBL30132805 0.99 MAPT (0.52) MAPTMAPK1RAB9ANPC1NFKB1
SCHEMBL5787352 0.99 MAPT (0.52) MAPTMAPK1RAB9ANPC1NFKB1
SCHEMBL2107427 0.86 MAPT (0.51) MAPTMAPK1RAB9ANPC1NFKB1
SCHEMBL15709862 0.85 LMNA (0.61) MAPTMAPK1RAB9ANPC1NFKB1
SCHEMBL27856348 0.84 MAPT (0.52) MAPTMAPK1RAB9ANPC1NFKB1
Ethyl Acetate SCHEMBL29391722 0.83 RAB9A (0.48) MAPTMAPK1RAB9ANPC1NFKB1
SCHEMBL3796044 0.81 MAPK1 (0.61) MAPTMAPK1RAB9ANPC1ALDH1A1
SCHEMBL31031180 0.81 MAPK1 (0.61) MAPTMAPK1RAB9ANPC1ALDH1A1
SCHEMBL31213829 0.80 ALDH1A1 (0.53) MAPTMAPK1RAB9ANPC1NFKB1
SCHEMBL27985684 0.80 ALDH1A1 (0.53) MAPTMAPK1RAB9ANPC1NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP disclosed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO disclosed