Hexane

Hexane

SCHEMBL8305527

CCCCCC.COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.66
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4009144 0.92 NPSR1 (0.77) NPSR1KMT2AHPGDKDM4EALDH1A1
SCHEMBL8305529 0.85 NPSR1 (0.60) NPSR1KMT2AGAAHPGDMEN1
SCHEMBL10683354 0.82 NPSR1 (0.58) NPSR1KMT2AGAAMEN1KDM4E
SCHEMBL9283221 0.80 NPSR1 (0.72) NPSR1KMT2AHPGDMEN1KDM4E
SCHEMBL4408532 0.78 NPSR1 (0.74) NPSR1KMT2AGAAHPGDMEN1
SCHEMBL30408092 0.77 NPSR1 (0.78) NPSR1KMT2AGAAHPGDKDM4E
SCHEMBL27797941 0.76 NPSR1 (0.48) NPSR1KMT2AGAAHPGDMEN1
SCHEMBL6677714 0.75 NPSR1 (0.54) NPSR1KMT2AHPGDMEN1ALDH1A1
SCHEMBL4008749 0.75 NPSR1 (0.59) NPSR1KMT2AMEN1ALDH1A1HTT
SCHEMBL27651146 0.74 NPSR1 (0.56) NPSR1KMT2AMEN1KDM4EALDH1A1

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
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed