Methane

Methane

SCHEMBL8434666

C.Nc1ccc(N2CCCC2O)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC18A3 Q16572 1/20 0.38
GFER P55789 5/20 0.36

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
SCHEMBL28868727 0.98 MAPT (0.42) MAPTALDH1A1KDM4EGAAL3MBTL1
Methane SCHEMBL27690559 0.81 SLC18A3 (0.43) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6494087 0.80 MAPT (0.47) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL21163358 0.79 FFAR1 (0.48) MAPTALDH1A1KDM4EL3MBTL1HTT
SCHEMBL20004455 0.79 HPGD (0.42) ALDH1A1KDM4EGAAL3MBTL1KMT2A
SCHEMBL8502504 0.79 L3MBTL1 (0.44) MAPTALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL27812326 0.76 L3MBTL3 (0.33) L3MBTL1FFAR1L3MBTL3
SCHEMBL6607096 0.76 ALDH1A1 (0.47) MAPTALDH1A1KDM4EGAAL3MBTL1
SCHEMBL22334722 0.75 TRIM24 (0.50) ALDH1A1KDM4ESMN1; SMN2FFAR1
SCHEMBL78460 0.75 FFAR1 (0.43) MAPTALDH1A1KDM4EGAAL3MBTL1

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-0962452-A1 Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 EP claimed
US-5993491-A Oxidative hair dye compositions and methods containing 1-(4-aminophenyl)-2-pyrrolidinemethanols BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-30 US claimed