Methane

Methane

SCHEMBL9835792

C.O=C(O)NCC(=O)c1ccc(O)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PTPN1 P18031 1/20 0.50
ALDH1A1 P00352 4/20 0.48
BLM P54132 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ABL1 P00519 1/20 0.48
POLB P06746 1/20 0.48
ALPI P09923 1/20 0.48
GAA P10253 1/20 0.48
ALPG P10696 1/20 0.48
APEX1 P27695 1/20 0.48
CASP3 P42574 1/20 0.48
RECQL P46063 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
MCL1 Q07820 1/20 0.48
RIN1 Q13671 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9837130 0.98 PTPN1 (0.52) NPC1RAB9APTPN1ALDH1A1BLM
SCHEMBL11216066 0.81 MEN1 (0.62) NPC1RAB9APTPN1ALDH1A1KDM4E
SCHEMBL15973607 0.80 MAPT (0.58) NPC1RAB9APTPN1ALDH1A1CA1
SCHEMBL10187752 0.80 GSK3B (0.55) NPC1RAB9AALDH1A1POLBGAA
SCHEMBL7436867 0.80 HSD17B3 (0.52) NPC1RAB9APTPN1ALDH1A1BLM
SCHEMBL14830961 0.80 ERCC5 (0.58) NPC1RAB9AALDH1A1KDM4EL3MBTL1
Methane SCHEMBL9836231 0.79 ESR1 (0.54) NPC1RAB9APTPN1ALDH1A1TDP1
SCHEMBL7439603 0.77 RAB9A (0.47) NPC1RAB9APTPN1ALDH1A1BLM
SCHEMBL7443170 0.77 ESR1 (0.56) NPC1RAB9APTPN1ALDH1A1TDP1
SCHEMBL2330432 0.76 CYP1A2 (0.60) RAB9AALDH1A1KDM4EGAAL3MBTL1

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-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP disclosed